#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/66/7116644.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/
#
# All data on this site have been placed in the public domain by the
# contributors.
#
data_7116644
loop_
_publ_author_name
'Jiajia Yang'
'Mohan Bhadbhade'
'William A. Donald'
'Hasti Iranmanesh'
'Evan G. Moore'
'Hong Yan'
'Jonathon E. Beves'
_publ_section_title
;
 Self-assembled supramolecular cages containing ruthenium(II) polypyridyl
 complexes
;
_journal_name_full               Chem.Commun.
_journal_page_first              4465
_journal_paper_doi               10.1039/C4cc10292D
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety
'C232 H188 N20 P8 Pd4 Ru2, 8.75(F6 P), 0.5(C N O2)'
_chemical_formula_sum            'C232.5 H188 F52.5 N20.5 O P16.75 Pd4 Ru2'
_chemical_formula_weight         5429.01
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_date             2014-12-08
_audit_creation_method
;
Olex2 1.2
(compiled 2014.11.28 svn.r3106 for OlexSys, GUI svn.r4959)
;
_audit_update_record
;
2014-12-19 deposited with the CCDC.
2015-02-06 downloaded from the CCDC.
;
_cell_angle_alpha                96.150(3)
_cell_angle_beta                 107.106(3)
_cell_angle_gamma                113.591(2)
_cell_formula_units_Z            2
_cell_length_a                   23.8865(13)
_cell_length_b                   25.4288(13)
_cell_length_c                   31.7818(17)
_cell_measurement_reflns_used    5822
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      18.95
_cell_measurement_theta_min      2.43
_cell_volume                     16341.8(16)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_diffrn_ambient_temperature      150.0
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2145
_diffrn_reflns_av_unetI/netI     0.4313
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       32
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -38
_diffrn_reflns_number            231819
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         25.000
_diffrn_reflns_theta_min         0.694
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.459
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            red
_exptl_crystal_colour_primary    red
_exptl_crystal_density_diffrn    1.103
_exptl_crystal_description       block
_exptl_crystal_F_000             5460
_exptl_crystal_size_max          0.076
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.029
_refine_diff_density_max         2.596
_refine_diff_density_min         -2.440
_refine_diff_density_rms         0.147
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.106
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     3008
_refine_ls_number_reflns         57493
_refine_ls_number_restraints     1988
_refine_ls_restrained_S_all      1.140
_refine_ls_R_factor_all          0.2443
_refine_ls_R_factor_gt           0.1133
_refine_ls_shift/su_max          0.023
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1104P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2885
_refine_ls_wR_factor_ref         0.3201
_reflns_Friedel_coverage         0.000
_reflns_number_gt                18054
_reflns_number_total             57493
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4cc10292d2.cif
_cod_data_source_block           p1bar_trial1
_cod_original_cell_volume        16341.8(15)
_cod_original_formula_sum        'C232.50 H188 F52.50 N20.50 O P16.75 Pd4 Ru2'
_cod_database_code               7116644
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
2. Restrained distances
 F1C-F2C \\sim F1C-F3C \\sim F1C-F4C \\sim F1C-F5C \\sim F2C-F3C \\sim F2C-F4C
\\sim F2C-F6C \\sim F3C-F5C
 \\sim F3C-F6C \\sim F4C-F5C \\sim F4C-F6C \\sim F5C-F6C
 with sigma of 0.04
 P3-F1C \\sim P3-F2C \\sim P3-F3C \\sim P3-F4C \\sim P3-F5C \\sim P3-F6C
 with sigma of 0.02
 F1H-F2H \\sim F1H-F3H \\sim F1H-F4H \\sim F1H-F5H \\sim F2H-F3H \\sim F2H-F5H
\\sim F2H-F6H \\sim F3H-F4H
 \\sim F3H-F6H \\sim F4H-F5H \\sim F4H-F6H \\sim F5H-F6H
 with sigma of 0.04
 P8-F1H \\sim P8-F2H \\sim P8-F3H \\sim P8-F4H \\sim P8-F5H \\sim P8-F6H
 with sigma of 0.02
 F1I-F2I \\sim F1I-F4I \\sim F1I-F5I \\sim F1I-F6I \\sim F2I-F3I \\sim F2I-F4I
\\sim F2I-F6I \\sim F3I-F4I
 \\sim F3I-F5I \\sim F3I-F6I \\sim F4I-F5I \\sim F5I-F6I
 with sigma of 0.04
 P9-F1I \\sim P9-F2I \\sim P9-F3I \\sim P9-F4I \\sim P9-F5I \\sim P9-F6I
 with sigma of 0.02
 F1K-F2K \\sim F1K-F3K \\sim F1K-F4K \\sim F1K-F6K \\sim F2K-F3K \\sim F2K-F5K
\\sim F2K-F6K \\sim F3K-F4K
 \\sim F3K-F5K \\sim F4K-F5K \\sim F4K-F6K \\sim F5K-F6K
 with sigma of 0.04
 P11-F1K \\sim P11-F2K \\sim P11-F3K \\sim P11-F4K \\sim P11-F5K \\sim P11-F6K
 with sigma of 0.02
 F1L-F2L \\sim F1L-F4L \\sim F1L-F5L \\sim F1L-F6L \\sim F2L-F3L \\sim F2L-F4L
\\sim F2L-F5L \\sim F3L-F4L
 \\sim F3L-F5L \\sim F3L-F6L \\sim F4L-F6L \\sim F5L-F6L
 with sigma of 0.04
 P12-F1L \\sim P12-F2L \\sim P12-F3L \\sim P12-F4L \\sim P12-F5L \\sim P12-F6L
 with sigma of 0.02
 F1M-F2M \\sim F1M-F4M \\sim F1M-F5M \\sim F1M-F6M \\sim F2M-F3M \\sim F2M-F4M
\\sim F2M-F5M \\sim F3M-F4M
 \\sim F3M-F5M \\sim F3M-F6M \\sim F4M-F6M \\sim F5M-F6M
 with sigma of 0.04
 P13-F1M \\sim P13-F2M \\sim P13-F3M \\sim P13-F4M \\sim P13-F5M \\sim P13-F6M
 with sigma of 0.02
 F1M-F2M \\sim F1M-F4M \\sim F1M-F5M \\sim F1M-F6M \\sim F2M-F3M \\sim F2M-F4M
\\sim F2M-F5M \\sim F3M-F4M
 \\sim F3M-F5M \\sim F3M-F6M \\sim F4M-F6M \\sim F5M-F6M
 with sigma of 0.04
 P13-F1M \\sim P13-F2M \\sim P13-F3M \\sim P13-F4M \\sim P13-F5M \\sim P13-F6M
 with sigma of 0.02
 F1D-F2D \\sim F1D-F4D \\sim F1D-F5D \\sim F2D-F3D \\sim F2D-F4D \\sim F3D-F4D
\\sim F3D-F5D \\sim F4D-F5D
 with sigma of 0.04
 P4-F1D \\sim P4-F2D \\sim P4-F3D \\sim P4-F4D \\sim P4-F5D
 with sigma of 0.02
 F1K-F2K \\sim F1K-F3K \\sim F1K-F4K \\sim F1K-F6K \\sim F2K-F3K \\sim F2K-F5K
\\sim F2K-F6K \\sim F3K-F4K
 \\sim F3K-F5K \\sim F4K-F5K \\sim F4K-F6K \\sim F5K-F6K
 with sigma of 0.04
 P11-F1K \\sim P11-F2K \\sim P11-F3K \\sim P11-F4K \\sim P11-F5K \\sim P11-F6K
 with sigma of 0.02
 F1C-F2C \\sim F1C-F3C \\sim F1C-F4C \\sim F1C-F5C \\sim F2C-F3C \\sim F2C-F4C
\\sim F2C-F6C \\sim F3C-F5C
 \\sim F3C-F6C \\sim F4C-F5C \\sim F4C-F6C \\sim F5C-F6C
 with sigma of 0.04
 P3-F1C \\sim P3-F2C \\sim P3-F3C \\sim P3-F4C \\sim P3-F5C \\sim P3-F6C
 with sigma of 0.02
 F1H-F2H \\sim F1H-F3H \\sim F1H-F4H \\sim F1H-F5H \\sim F2H-F3H \\sim F2H-F5H
\\sim F2H-F6H \\sim F3H-F4H
 \\sim F3H-F6H \\sim F4H-F5H \\sim F4H-F6H \\sim F5H-F6H
 with sigma of 0.04
 P8-F1H \\sim P8-F2H \\sim P8-F3H \\sim P8-F4H \\sim P8-F5H \\sim P8-F6H
 with sigma of 0.02
 F1K-F2K \\sim F1K-F3K \\sim F1K-F4K \\sim F1K-F6K \\sim F2K-F3K \\sim F2K-F5K
\\sim F2K-F6K \\sim F3K-F4K
 \\sim F3K-F5K \\sim F4K-F5K \\sim F4K-F6K \\sim F5K-F6K
 with sigma of 0.04
 P11-F1K \\sim P11-F2K \\sim P11-F3K \\sim P11-F4K \\sim P11-F5K \\sim P11-F6K
 with sigma of 0.02
 F1A-F2A \\sim F1A-F3A \\sim F1A-F5A \\sim F1A-F6A \\sim F2A-F4A \\sim F2A-F5A
\\sim F2A-F6A \\sim F3A-F4A
 \\sim F3A-F5A \\sim F3A-F6A \\sim F4A-F5A \\sim F4A-F6A
 with sigma of 0.04
 P1-F1A \\sim P1-F2A \\sim P1-F3A \\sim P1-F4A \\sim P1-F5A \\sim P1-F6A
 with sigma of 0.02
 F1J-F2J \\sim F1J-F3J \\sim F1J-F4J \\sim F1J-F5J \\sim F2J-F3J \\sim F2J-F5J
\\sim F2J-F6J \\sim F3J-F4J
 \\sim F3J-F6J \\sim F4J-F5J \\sim F4J-F6J \\sim F5J-F6J
 with sigma of 0.04
 P10-F1J \\sim P10-F2J \\sim P10-F3J \\sim P10-F4J \\sim P10-F5J \\sim P10-F6J
 with sigma of 0.02
 F1L-F2L \\sim F1L-F4L \\sim F1L-F5L \\sim F1L-F6L \\sim F2L-F3L \\sim F2L-F4L
\\sim F2L-F5L \\sim F3L-F4L
 \\sim F3L-F5L \\sim F3L-F6L \\sim F4L-F6L \\sim F5L-F6L
 with sigma of 0.04
 P12-F1L \\sim P12-F2L \\sim P12-F3L \\sim P12-F4L \\sim P12-F5L \\sim P12-F6L
 with sigma of 0.02
 F1E-F2E \\sim F1E-F4E \\sim F1E-F5E \\sim F1E-F6E \\sim F2E-F3E \\sim F2E-F4E
\\sim F2E-F5E \\sim F3E-F4E
 \\sim F3E-F5E \\sim F3E-F6E \\sim F4E-F6E \\sim F5E-F6E
 with sigma of 0.04
 P5-F1E \\sim P5-F2E \\sim P5-F3E \\sim P5-F4E \\sim P5-F5E \\sim P5-F6E
 with sigma of 0.02
 F1F-F2F \\sim F1F-F3F \\sim F1F-F4F \\sim F1F-F5F \\sim F2F-F4F \\sim F2F-F5F
\\sim F2F-F6F \\sim F3F-F4F
 \\sim F3F-F5F \\sim F3F-F6F \\sim F4F-F6F \\sim F5F-F6F
 with sigma of 0.04
 P6-F1F \\sim P6-F2F \\sim P6-F3F \\sim P6-F4F \\sim P6-F5F \\sim P6-F6F
 with sigma of 0.02
3. Rigid body (RIGU) restrains
 C1A, C2A
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C60B, C59B, C58B, N10B, C62B, C61B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C16C, C17C, C18C, C19C, C20C, C21C
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C15C, C14C, C13C
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1C, C6C, C5C, C4C, C3C, C2C
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C22F, C27F, C26F, C25F, C24F, C23F
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C7F, C8F, C9F, C10F, C11F, C12F
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P1F, C1F, C2F, C3F, C4F, C5F, C6F
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C15F, C14F, C13F
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C22D, C23D, C24D, C25D, C26D, C27D
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C16D, C17D, C18D, C19D, C20D, C21D
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C7D, C12D, C11D, C10D, C9D, C8D
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C1D, C6D, C5D, C4D, C3D, C2D
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C16E, C21E, C20E, C19E, C18E, C17E
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C6E, C1E, C2E, C3E, C4E, C5E
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C7E, C8E, C9E, C10E, C11E, C12E
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P13, F1M, F2M, F3M, F4M, F5M, F6M
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P11, F1K, F2K, F3K, F4K, F5K, F6K
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P9, F6I, F5I, F1I, F2I, F3I, F4I
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P11, F1K, F2K, F3K, F4K, F5K, F6K
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 C27B, N5B, C31B
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P6, F1F, F2F, F3F, F4F, F5F, F6F
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P12, F1L, F2L, F3L, F4L, F5L, F6L
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P4, F1D, F2D, F3D, F4D, F5D, F6D
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P10, F1J, F2J, F3J, F4J, F5J, F6J
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P3, F1C, F2C, F3C, F4C, F5C, F6C
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 P7, F1G, F2G, F3G, F4G, F5G, F6G
 with sigma for 1-2 distances of 0.004 and sigma for 1-3 distances of 0.004
 N1A, C1A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 N6B, C36B
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C38B, C39B
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 P9, F6I, F5I, F2I, F1I, F3I, F4I
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 P2E, C15E, C14E, C13E, P1E
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
 C22A, C23A, C24A, C25A, C26A, N4A
 with sigma for 1-2 distances of 0.002 and sigma for 1-3 distances of 0.002
4. Others
 Fixed Sof: P4(0.5) F1D(0.5) F2D(0.5) F3D(0.5) F4D(0.5) F5D(0.5) P8(0.5)
 F1H(0.5) F2H(0.5) F3H(0.5) F4H(0.5) F5H(0.5) F6H(0.5) P9(0.5) F1I(0.5)
 F2I(0.5) F3I(0.5) F4I(0.5) F5I(0.5) F6I(0.5) P10(0.5) F1J(0.5) F2J(0.5)
 F3J(0.5) F4J(0.5) F5J(0.5) F6J(0.5) P11(0.25) F1K(0.25) F2K(0.25) F3K(0.25)
 F4K(0.25) F5K(0.25) F6K(0.25) P12(0.5) F1L(0.5) F2L(0.5) F3L(0.5) F4L(0.5)
 F5L(0.5) F6L(0.5) F6D(0.5) P13(0.5) F1M(0.5) F2M(0.5) F3M(0.5) F4M(0.5)
 F5M(0.5) F6M(0.5) O12(0.5) O15(0.5) N18(0.5) C33(0.5)
5.a Secondary CH2 refined with riding coordinates:
 C13C(H13C,H13D), C14C(H14C,H14D), C15C(H15C,H15D), C13D(H13E,H13F), C14D(H14E,
 H14F), C15D(H15E,H15F), C13E(H13G,H13H), C14E(H14G,H14H), C15E(H15G,H15H),
 C13F(H13I,H13J), C14F(H14I,H14J), C15F(H15I,H15J)
5.b Aromatic/amide H refined with riding coordinates:
 C23D(H23D), C24D(H24D), C25D(H25D), C26D(H26D), C27D(H27D), C1A(H1A),
 C2A(H2A), C3A(H3A), C4A(H4A), C7A(H7A), C9A(H9A), C12A(H12A), C13A(H13A),
 C14A(H14A), C15A(H15A), C17A(H17A), C19A(H19A), C21A(H21A), C22A(H22A),
 C23A(H23A), C25A(H25A), C26A(H26A), C27A(H27A), C28A(H28A), C30A(H30A),
 C31A(H31A), C32A(H32A), C33A(H33A), C34A(H34A), C35A(H35A), C38A(H38A),
 C40A(H40A), C43A(H43A), C44A(H44A), C45A(H45A), C46A(H46A), C48A(H48A),
 C50A(H50A), C52A(H52A), C53A(H53A), C54A(H54A), C56A(H56A), C57A(H57A),
 C58A(H58A), C59A(H59A), C61A(H61A), C62A(H62A), C1B(H1B), C2B(H2B), C3B(H3B),
 C4B(H4B), C7B(H7B), C9B(H9B), C12B(H12B), C13B(H13B), C14B(H14B), C15B(H15B),
 C17B(H17B), C19B(H19B), C21B(H21B), C22B(H22B), C23B(H23B), C25B(H25B),
 C26B(H26B), C27B(H27B), C28B(H28B), C30B(H30B), C31B(H31B), C32B(H32B),
 C33B(H33B), C34B(H34B), C35B(H35B), C38B(H38B), C40B(H40B), C43B(H43B),
 C44B(H44B), C45B(H45B), C46B(H46B), C48B(H48B), C50B(H50B), C52B(H52B),
 C53B(H53B), C54B(H54B), C56B(H56B), C57B(H57B), C58B(H58B), C59B(H59B),
 C61B(H61B), C62B(H62B), C2C(H2C), C3C(H3C), C4C(H4C), C5C(H5C), C6C(H6C),
 C8C(H8C), C9C(H9C), C10C(H10C), C11C(H11C), C12C(H12C), C17C(H17C), C18C(H18C),
  C19C(H19C), C20C(H20C), C21C(H21C), C23C(H23C), C24C(H24C), C25C(H25C),
 C26C(H26C), C27C(H27C), C2D(H2D), C3D(H3D), C4D(H4D), C5D(H5D), C6D(H6D),
 C8D(H8D), C9D(H9D), C10D(H10D), C11D(H11D), C12D(H12D), C17D(H17D), C18D(H18D),
  C19D(H19D), C20D(H20D), C21D(H21D), C2E(H2E), C3E(H3E), C4E(H4E), C5E(H5E),
 C6E(H6E), C8E(H8E), C9E(H9E), C10E(H10E), C11E(H11E), C12E(H12E), C17E(H17E),
 C18E(H18E), C19E(H19E), C20E(H20E), C21E(H21E), C23E(H23E), C24E(H24E),
 C25E(H25E), C26E(H26E), C27E(H27E), C2F(H2F), C3F(H3F), C4F(H4F), C5F(H5F),
 C6F(H6F), C8F(H8F), C9F(H9F), C10F(H10F), C11F(H11F), C12F(H12F), C17F(H17F),
 C18F(H18F), C19F(H19F), C20F(H20F), C21F(H21F), C23F(H23F), C24F(H24F),
 C25F(H25F), C26F(H26F), C27F(H27F)
5.c Fitted hexagon refined as free rotating group:
 C22D(C23D,C24D,C25D,C26D,C27D), C1C(C2C,C3C,C4C,C5C,C6C), C7C(C8C,C9C,C10C,
 C11C,C12C), C16C(C17C,C18C,C19C,C20C,C21C), C22C(C23C,C24C,C25C,C26C,C27C),
 C1D(C2D,C3D,C4D,C5D,C6D), C7D(C8D,C9D,C10D,C11D,C12D), C16D(C17D,C18D,C19D,
 C20D,C21D), C1E(C2E,C3E,C4E,C5E,C6E), C7E(C8E,C9E,C10E,C11E,C12E), C16E(C17E,
 C18E,C19E,C20E,C21E), C22E(C23E,C24E,C25E,C26E,C27E), C1F(C2F,C3F,C4F,C5F,C6F),
  C7F(C8F,C9F,C10F,C11F,C12F), C16F(C17F,C18F,C19F,C20F,C21F), C22F(C23F,C24F,
 C25F,C26F,C27F)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
C22D C 0.8178(6) 0.6059(6) 1.0555(3) 0.130(7) Uani 1 1 d . U .
C23D C 0.8226(6) 0.6608(7) 1.0499(3) 0.145(7) Uani 1 1 d G U .
H23D H 0.8111 0.6669 1.0202 0.174 Uiso 1 1 calc R . .
C24D C 0.8441(7) 0.7068(6) 1.0878(5) 0.193(9) Uani 1 1 d G U .
H24D H 0.8474 0.7443 1.0840 0.232 Uiso 1 1 calc R . .
C25D C 0.8608(8) 0.6978(7) 1.1312(4) 0.241(13) Uani 1 1 d G U .
H25D H 0.8755 0.7292 1.1571 0.289 Uiso 1 1 calc R . .
C26D C 0.8560(8) 0.6429(8) 1.1368(3) 0.263(15) Uani 1 1 d G U .
H26D H 0.8674 0.6368 1.1665 0.316 Uiso 1 1 calc R . .
C27D C 0.8345(7) 0.5969(6) 1.0989(5) 0.170(8) Uani 1 1 d G U .
H27D H 0.8312 0.5594 1.1027 0.204 Uiso 1 1 calc R . .
Ru1A Ru 0.82975(5) 0.45789(4) 0.54583(3) 0.0457(3) Uani 1 1 d . . .
N1A N 0.8382(4) 0.4101(4) 0.5923(3) 0.045(3) Uani 1 1 d . U .
N2A N 0.8766(4) 0.5220(5) 0.6014(3) 0.049(3) Uani 1 1 d . . .
N3A N 0.8445(5) 0.5313(4) 0.5195(3) 0.053(3) Uani 1 1 d . . .
N4A N 1.1017(5) 0.9397(5) 0.7900(3) 0.064(3) Uani 1 1 d . U .
N5A N 0.8701(5) 0.6165(5) 0.9044(4) 0.061(3) Uani 1 1 d . . .
N6A N 0.9024(4) 0.4482(4) 0.5299(3) 0.044(3) Uani 1 1 d . . .
N7A N 0.7801(5) 0.3931(4) 0.4910(3) 0.043(3) Uani 1 1 d . . .
N8A N 0.7354(5) 0.4399(5) 0.5402(4) 0.058(3) Uani 1 1 d . . .
N9A N 0.6570(5) 0.2435(4) 0.1646(3) 0.043(2) Uani 1 1 d . . .
N10A N 0.4412(5) -0.0167(4) 0.3315(3) 0.048(3) Uani 1 1 d . . .
C1A C 0.8245(6) 0.3532(5) 0.5863(5) 0.063(4) Uani 1 1 d . U .
H1A H 0.8065 0.3296 0.5559 0.075 Uiso 1 1 calc R . .
C2A C 0.8342(6) 0.3266(6) 0.6196(5) 0.069(4) Uani 1 1 d . U .
H2A H 0.8210 0.2851 0.6122 0.083 Uiso 1 1 calc R . .
C3A C 0.8635(7) 0.3583(7) 0.6656(5) 0.075(4) Uani 1 1 d . . .
H3A H 0.8716 0.3398 0.6895 0.090 Uiso 1 1 calc R . .
C4A C 0.8801(6) 0.4192(6) 0.6742(4) 0.063(4) Uani 1 1 d . . .
H4A H 0.8997 0.4428 0.7047 0.076 Uiso 1 1 calc R . .
C5A C 0.8678(6) 0.4451(6) 0.6379(5) 0.057(4) Uani 1 1 d . . .
C6A C 0.8830(6) 0.5086(5) 0.6416(4) 0.047(3) Uani 1 1 d . . .
C7A C 0.9064(5) 0.5518(6) 0.6829(4) 0.058(4) Uani 1 1 d . . .
H7A H 0.9137 0.5409 0.7109 0.069 Uiso 1 1 calc R . .
C8A C 0.9187(6) 0.6093(6) 0.6824(5) 0.059(4) Uani 1 1 d . . .
C9A C 0.9102(6) 0.6209(5) 0.6400(5) 0.055(4) Uani 1 1 d . . .
H9A H 0.9205 0.6605 0.6381 0.066 Uiso 1 1 calc R . .
C10A C 0.8878(6) 0.5788(6) 0.6015(5) 0.053(3) Uani 1 1 d . . .
C11A C 0.8725(6) 0.5836(5) 0.5529(4) 0.052(3) Uani 1 1 d . . .
C12A C 0.8888(6) 0.6395(5) 0.5421(4) 0.061(4) Uani 1 1 d . . .
H12A H 0.9090 0.6755 0.5651 0.073 Uiso 1 1 calc R . .
C13A C 0.8741(6) 0.6388(6) 0.4970(5) 0.061(4) Uani 1 1 d . . .
H13A H 0.8845 0.6753 0.4886 0.073 Uiso 1 1 calc R . .
C14A C 0.8438(7) 0.5851(7) 0.4624(5) 0.071(4) Uani 1 1 d . . .
H14A H 0.8347 0.5857 0.4313 0.085 Uiso 1 1 calc R . .
C15A C 0.8279(6) 0.5327(7) 0.4746(5) 0.061(4) Uani 1 1 d . . .
H15A H 0.8050 0.4964 0.4515 0.074 Uiso 1 1 calc R . .
C16A C 0.9346(6) 0.6520(6) 0.7215(5) 0.057(4) Uani 1 1 d . . .
C17A C 0.9715(6) 0.7129(6) 0.7265(5) 0.067(4) Uani 1 1 d . . .
H17A H 0.9866 0.7258 0.7032 0.080 Uiso 1 1 calc R . .
C18A C 0.9857(6) 0.7535(6) 0.7644(5) 0.062(4) Uani 1 1 d . . .
C19A C 0.9656(6) 0.7359(6) 0.7999(5) 0.064(4) Uani 1 1 d . . .
H19A H 0.9769 0.7650 0.8263 0.077 Uiso 1 1 calc R . .
C20A C 0.9291(6) 0.6758(6) 0.7968(4) 0.061(4) Uani 1 1 d . . .
C21A C 0.9148(6) 0.6361(5) 0.7549(5) 0.069(4) Uani 1 1 d . . .
H21A H 0.8888 0.5949 0.7509 0.082 Uiso 1 1 calc R . .
C22A C 1.1044(6) 0.9021(5) 0.7623(4) 0.062(3) Uani 1 1 d . U .
H22A H 1.1353 0.9172 0.7481 0.074 Uiso 1 1 calc R . .
C23A C 1.0670(6) 0.8416(5) 0.7507(4) 0.061(3) Uani 1 1 d . U .
H23A H 1.0720 0.8160 0.7296 0.073 Uiso 1 1 calc R . .
C24A C 1.0222(6) 0.8202(6) 0.7711(4) 0.061(3) Uani 1 1 d . U .
C25A C 1.0124(7) 0.8617(6) 0.7968(4) 0.073(4) Uani 1 1 d . U .
H25A H 0.9772 0.8490 0.8075 0.088 Uiso 1 1 calc R . .
C26A C 1.0535(7) 0.9196(6) 0.8060(4) 0.070(3) Uani 1 1 d . U .
H26A H 1.0480 0.9474 0.8247 0.084 Uiso 1 1 calc R . .
C27A C 0.8868(9) 0.6738(9) 0.9020(5) 0.112(6) Uani 1 1 d . . .
H27A H 0.8870 0.7005 0.9254 0.135 Uiso 1 1 calc R . .
C28A C 0.9035(7) 0.6942(7) 0.8668(5) 0.079(4) Uani 1 1 d . . .
H28A H 0.9126 0.7336 0.8646 0.094 Uiso 1 1 calc R . .
C29A C 0.9063(7) 0.6523(7) 0.8329(4) 0.064(4) Uani 1 1 d . . .
C30A C 0.8877(6) 0.5958(7) 0.8365(5) 0.072(4) Uani 1 1 d . . .
H30A H 0.8887 0.5677 0.8148 0.086 Uiso 1 1 calc R . .
C31A C 0.8676(7) 0.5790(6) 0.8709(5) 0.067(4) Uani 1 1 d . . .
H31A H 0.8509 0.5382 0.8708 0.080 Uiso 1 1 calc R . .
C32A C 0.9681(7) 0.4757(5) 0.5540(4) 0.054(4) Uani 1 1 d . . .
H32A H 0.9837 0.5057 0.5810 0.065 Uiso 1 1 calc R . .
C33A C 1.0141(7) 0.4643(6) 0.5428(4) 0.070(4) Uani 1 1 d . . .
H33A H 1.0598 0.4869 0.5603 0.084 Uiso 1 1 calc R . .
C34A C 0.9910(6) 0.4185(5) 0.5049(4) 0.057(4) Uani 1 1 d . . .
H34A H 1.0203 0.4071 0.4964 0.069 Uiso 1 1 calc R . .
C35A C 0.9240(7) 0.3894(6) 0.4796(5) 0.066(4) Uani 1 1 d . . .
H35A H 0.9071 0.3586 0.4528 0.079 Uiso 1 1 calc R . .
C36A C 0.8843(6) 0.4044(5) 0.4926(4) 0.046(3) Uani 1 1 d . . .
C37A C 0.8102(6) 0.3733(5) 0.4687(4) 0.046(3) Uani 1 1 d . . .
C38A C 0.7754(5) 0.3286(5) 0.4283(4) 0.045(3) Uani 1 1 d . . .
H38A H 0.7971 0.3160 0.4118 0.054 Uiso 1 1 calc R . .
C39A C 0.7060(7) 0.3029(5) 0.4131(4) 0.053(3) Uani 1 1 d . . .
C40A C 0.6747(6) 0.3229(6) 0.4351(4) 0.051(3) Uani 1 1 d . . .
H40A H 0.6281 0.3058 0.4239 0.061 Uiso 1 1 calc R . .
C41A C 0.7127(6) 0.3690(5) 0.4746(4) 0.047(3) Uani 1 1 d . . .
C42A C 0.6851(7) 0.3964(5) 0.5012(4) 0.050(3) Uani 1 1 d . . .
C43A C 0.6230(7) 0.3836(6) 0.4895(4) 0.060(4) Uani 1 1 d . . .
H43A H 0.5911 0.3542 0.4624 0.072 Uiso 1 1 calc R . .
C44A C 0.6043(7) 0.4136(7) 0.5172(5) 0.066(4) Uani 1 1 d . . .
H44A H 0.5588 0.4031 0.5088 0.080 Uiso 1 1 calc R . .
C45A C 0.6465(8) 0.4562(7) 0.5549(6) 0.077(5) Uani 1 1 d . . .
H45A H 0.6327 0.4767 0.5731 0.092 Uiso 1 1 calc R . .
C46A C 0.7137(10) 0.4692(6) 0.5665(5) 0.082(5) Uani 1 1 d . . .
H46A H 0.7453 0.4992 0.5934 0.099 Uiso 1 1 calc R . .
C47A C 0.6661(6) 0.2521(6) 0.3710(4) 0.057(4) Uani 1 1 d . . .
C48A C 0.6764(6) 0.2576(5) 0.3304(4) 0.065(4) Uani 1 1 d . . .
H48A H 0.7107 0.2934 0.3304 0.078 Uiso 1 1 calc R . .
C49A C 0.6376(5) 0.2117(5) 0.2887(3) 0.046(3) Uani 1 1 d . . .
C50A C 0.5921(5) 0.1595(5) 0.2926(4) 0.055(4) Uani 1 1 d . . .
H50A H 0.5692 0.1263 0.2668 0.065 Uiso 1 1 calc R . .
C51A C 0.5773(6) 0.1518(6) 0.3320(4) 0.053(4) Uani 1 1 d . . .
C52A C 0.6177(6) 0.1982(5) 0.3710(4) 0.055(3) Uani 1 1 d . . .
H52A H 0.6121 0.1931 0.3989 0.066 Uiso 1 1 calc R . .
C53A C 0.7089(5) 0.2774(5) 0.2059(4) 0.045(3) Uani 1 1 d . . .
H53A H 0.7477 0.3089 0.2059 0.054 Uiso 1 1 calc R . .
C54A C 0.7050(5) 0.2661(5) 0.2463(4) 0.044(3) Uani 1 1 d . . .
H54A H 0.7414 0.2889 0.2739 0.053 Uiso 1 1 calc R . .
C55A C 0.6478(6) 0.2213(5) 0.2472(4) 0.056(4) Uani 1 1 d . . .
C56A C 0.5971(5) 0.1872(5) 0.2048(4) 0.055(4) Uani 1 1 d . . .
H56A H 0.5578 0.1553 0.2036 0.065 Uiso 1 1 calc R . .
C57A C 0.6043(5) 0.2000(5) 0.1649(4) 0.042(3) Uani 1 1 d . . .
H57A H 0.5696 0.1763 0.1367 0.050 Uiso 1 1 calc R . .
C58A C 0.4318(6) 0.0044(6) 0.2974(4) 0.063(4) Uani 1 1 d . . .
H58A H 0.3939 -0.0193 0.2707 0.075 Uiso 1 1 calc R . .
C59A C 0.4728(6) 0.0584(6) 0.2972(4) 0.072(4) Uani 1 1 d . . .
H59A H 0.4619 0.0727 0.2711 0.086 Uiso 1 1 calc R . .
C60A C 0.5302(5) 0.0940(5) 0.3335(4) 0.040(3) Uani 1 1 d . . .
C61A C 0.5404(6) 0.0750(6) 0.3701(4) 0.068(4) Uani 1 1 d . . .
H61A H 0.5773 0.0989 0.3973 0.081 Uiso 1 1 calc R . .
C62A C 0.4947(6) 0.0180(6) 0.3679(4) 0.064(4) Uani 1 1 d . . .
H62A H 0.5025 0.0033 0.3942 0.077 Uiso 1 1 calc R . .
Ru1B Ru 0.31320(4) 0.30782(4) 0.58208(3) 0.0429(3) Uani 1 1 d . . .
N1B N 0.4075(5) 0.3359(4) 0.5850(3) 0.047(3) Uani 1 1 d . . .
N2B N 0.3608(4) 0.3768(4) 0.6364(3) 0.038(2) Uani 1 1 d . . .
N3B N 0.2366(4) 0.3081(4) 0.6000(3) 0.042(2) Uani 1 1 d . . .
N4B N 0.7485(4) 0.5803(4) 0.9142(3) 0.050(3) Uani 1 1 d . . .
N5B N 0.3871(6) 0.6798(5) 0.8719(3) 0.055(3) Uani 1 1 d . U .
N6B N 0.2902(4) 0.3444(4) 0.5285(3) 0.038(2) Uani 1 1 d . U .
N7B N 0.2693(4) 0.2374(4) 0.5293(3) 0.041(2) Uani 1 1 d . . .
N8B N 0.3182(4) 0.2432(4) 0.6154(3) 0.050(3) Uani 1 1 d . . .
N9B N 0.3183(4) -0.0665(4) 0.3478(4) 0.043(3) Uani 1 1 d . . .
N10B N -0.0902(6) -0.0310(5) 0.2508(4) 0.091(4) Uani 1 1 d . U .
C1B C 0.4302(6) 0.3134(5) 0.5578(4) 0.056(4) Uani 1 1 d . . .
H1B H 0.3981 0.2834 0.5310 0.067 Uiso 1 1 calc R . .
C2B C 0.4948(6) 0.3286(6) 0.5641(5) 0.070(4) Uani 1 1 d . . .
H2B H 0.5068 0.3100 0.5432 0.084 Uiso 1 1 calc R . .
C3B C 0.5412(6) 0.3729(7) 0.6031(5) 0.085(5) Uani 1 1 d . . .
H3B H 0.5867 0.3845 0.6104 0.102 Uiso 1 1 calc R . .
C4B C 0.5206(6) 0.4002(5) 0.6317(4) 0.061(4) Uani 1 1 d . . .
H4B H 0.5526 0.4316 0.6576 0.073 Uiso 1 1 calc R . .
C5B C 0.4546(5) 0.3825(5) 0.6231(4) 0.050(4) Uani 1 1 d . . .
C6B C 0.4285(6) 0.4062(5) 0.6527(4) 0.043(3) Uani 1 1 d . . .
C7B C 0.4605(6) 0.4504(5) 0.6901(4) 0.049(3) Uani 1 1 d . . .
H7B H 0.5071 0.4701 0.7011 0.059 Uiso 1 1 calc R . .
C8B C 0.4295(6) 0.4688(5) 0.7135(4) 0.047(3) Uani 1 1 d . . .
C9B C 0.3610(6) 0.4371(5) 0.6974(4) 0.049(3) Uani 1 1 d . . .
H9B H 0.3375 0.4472 0.7136 0.059 Uiso 1 1 calc R . .
C10B C 0.3283(6) 0.3928(6) 0.6596(4) 0.046(3) Uani 1 1 d . . .
C11B C 0.2565(6) 0.3542(6) 0.6375(4) 0.051(3) Uani 1 1 d . . .
C12B C 0.2112(7) 0.3585(6) 0.6552(5) 0.073(4) Uani 1 1 d . . .
H12B H 0.2261 0.3896 0.6814 0.087 Uiso 1 1 calc R . .
C13B C 0.1441(7) 0.3183(7) 0.6355(5) 0.093(5) Uani 1 1 d . . .
H13B H 0.1131 0.3206 0.6476 0.111 Uiso 1 1 calc R . .
C14B C 0.1266(7) 0.2758(8) 0.5981(6) 0.084(5) Uani 1 1 d . . .
H14B H 0.0815 0.2487 0.5826 0.101 Uiso 1 1 calc R . .
C15B C 0.1732(6) 0.2706(6) 0.5815(4) 0.063(4) Uani 1 1 d . . .
H15B H 0.1584 0.2388 0.5559 0.076 Uiso 1 1 calc R . .
C16B C 0.4666(6) 0.5144(6) 0.7561(5) 0.059(4) Uani 1 1 d . . .
C17B C 0.5282(7) 0.5221(5) 0.7842(4) 0.065(4) Uani 1 1 d . . .
H17B H 0.5451 0.4981 0.7729 0.078 Uiso 1 1 calc R . .
C18B C 0.5680(7) 0.5620(5) 0.8279(4) 0.061(4) Uani 1 1 d . . .
C19B C 0.5378(6) 0.5944(6) 0.8422(4) 0.067(4) Uani 1 1 d . . .
H19B H 0.5607 0.6213 0.8716 0.080 Uiso 1 1 calc R . .
C20B C 0.4751(6) 0.5899(5) 0.8157(4) 0.059(4) Uani 1 1 d . . .
C21B C 0.4415(6) 0.5498(6) 0.7712(4) 0.062(4) Uani 1 1 d . . .
H21B H 0.4015 0.5476 0.7517 0.074 Uiso 1 1 calc R . .
C22B C 0.7032(6) 0.5294(5) 0.8831(4) 0.054(4) Uani 1 1 d . . .
H22B H 0.7126 0.4966 0.8803 0.065 Uiso 1 1 calc R . .
C23B C 0.6433(7) 0.5231(6) 0.8552(4) 0.060(4) Uani 1 1 d . . .
H23B H 0.6118 0.4859 0.8343 0.072 Uiso 1 1 calc R . .
C24B C 0.6292(6) 0.5687(6) 0.8571(4) 0.063(4) Uani 1 1 d . . .
C25B C 0.6790(6) 0.6239(6) 0.8873(4) 0.060(4) Uani 1 1 d . . .
H25B H 0.6714 0.6578 0.8884 0.072 Uiso 1 1 calc R . .
C26B C 0.7346(7) 0.6286(6) 0.9134(4) 0.062(4) Uani 1 1 d . . .
H26B H 0.7673 0.6664 0.9328 0.074 Uiso 1 1 calc R . .
C27B C 0.4503(8) 0.7013(6) 0.8854(4) 0.070(4) Uani 1 1 d . U .
H27B H 0.4756 0.7380 0.9080 0.083 Uiso 1 1 calc R . .
C28B C 0.4853(7) 0.6751(6) 0.8697(4) 0.071(4) Uani 1 1 d . . .
H28B H 0.5319 0.6918 0.8816 0.085 Uiso 1 1 calc R . .
C29B C 0.4447(7) 0.6225(6) 0.8350(4) 0.057(4) Uani 1 1 d . . .
C30B C 0.3765(7) 0.6012(5) 0.8200(4) 0.067(4) Uani 1 1 d . . .
H30B H 0.3482 0.5657 0.7964 0.080 Uiso 1 1 calc R . .
C31B C 0.3513(7) 0.6312(5) 0.8394(4) 0.053(3) Uani 1 1 d . U .
H31B H 0.3049 0.6161 0.8287 0.064 Uiso 1 1 calc R . .
C32B C 0.3013(6) 0.3998(6) 0.5312(4) 0.055(4) Uani 1 1 d . . .
H32B H 0.3202 0.4262 0.5606 0.066 Uiso 1 1 calc R . .
C33B C 0.2873(6) 0.4218(6) 0.4943(4) 0.062(4) Uani 1 1 d . . .
H33B H 0.2972 0.4624 0.4975 0.075 Uiso 1 1 calc R . .
C34B C 0.2577(7) 0.3816(7) 0.4512(5) 0.070(4) Uani 1 1 d . . .
H34B H 0.2480 0.3947 0.4243 0.084 Uiso 1 1 calc R . .
C35B C 0.2425(6) 0.3216(5) 0.4485(4) 0.051(3) Uani 1 1 d . . .
H35B H 0.2211 0.2932 0.4198 0.061 Uiso 1 1 calc R . .
C36B C 0.2586(6) 0.3053(5) 0.4866(4) 0.039(3) Uani 1 1 d . U .
C37B C 0.2485(5) 0.2447(5) 0.4868(4) 0.042(3) Uani 1 1 d . . .
C38B C 0.2195(6) 0.1964(6) 0.4505(4) 0.065(4) Uani 1 1 d . U .
H38B H 0.2009 0.1996 0.4206 0.078 Uiso 1 1 calc R . .
C39B C 0.2171(6) 0.1408(5) 0.4572(4) 0.057(4) Uani 1 1 d . U .
C40B C 0.2402(6) 0.1370(5) 0.5024(5) 0.066(4) Uani 1 1 d . . .
H40B H 0.2386 0.1007 0.5083 0.080 Uiso 1 1 calc R . .
C41B C 0.2650(5) 0.1856(5) 0.5377(4) 0.044(3) Uani 1 1 d . . .
C42B C 0.2920(6) 0.1873(6) 0.5848(4) 0.056(4) Uani 1 1 d . . .
C43B C 0.2888(7) 0.1385(6) 0.6017(5) 0.075(4) Uani 1 1 d . . .
H43B H 0.2700 0.1002 0.5817 0.090 Uiso 1 1 calc R . .
C44B C 0.3138(7) 0.1469(7) 0.6490(6) 0.084(5) Uani 1 1 d . . .
H44B H 0.3131 0.1139 0.6608 0.101 Uiso 1 1 calc R . .
C45B C 0.3401(7) 0.2026(7) 0.6796(5) 0.084(5) Uani 1 1 d . . .
H45B H 0.3553 0.2074 0.7116 0.101 Uiso 1 1 calc R . .
C46B C 0.3428(6) 0.2506(7) 0.6611(5) 0.069(4) Uani 1 1 d . . .
H46B H 0.3624 0.2891 0.6809 0.083 Uiso 1 1 calc R . .
C47B C 0.1909(6) 0.0901(5) 0.4181(4) 0.055(4) Uani 1 1 d . . .
C48B C 0.2263(6) 0.0603(5) 0.4111(4) 0.055(4) Uani 1 1 d . . .
H48B H 0.2697 0.0734 0.4322 0.067 Uiso 1 1 calc R . .
C49B C 0.2001(6) 0.0121(5) 0.3744(4) 0.058(4) Uani 1 1 d . . .
C50B C 0.1356(6) -0.0080(6) 0.3441(4) 0.062(4) Uani 1 1 d . . .
H50B H 0.1171 -0.0416 0.3190 0.075 Uiso 1 1 calc R . .
C51B C 0.0993(6) 0.0190(6) 0.3496(4) 0.063(4) Uani 1 1 d . . .
C52B C 0.1249(7) 0.0670(7) 0.3837(5) 0.082(5) Uani 1 1 d . . .
H52B H 0.0993 0.0870 0.3858 0.098 Uiso 1 1 calc R . .
C53B C 0.3307(6) -0.0427(5) 0.3897(4) 0.052(4) Uani 1 1 d . . .
H53B H 0.3668 -0.0415 0.4133 0.062 Uiso 1 1 calc R . .
C54B C 0.2924(6) -0.0191(6) 0.4007(4) 0.064(4) Uani 1 1 d . . .
H54B H 0.3008 -0.0040 0.4318 0.077 Uiso 1 1 calc R . .
C55B C 0.2409(6) -0.0170(5) 0.3664(4) 0.057(4) Uani 1 1 d . . .
C56B C 0.2335(6) -0.0402(5) 0.3223(4) 0.054(4) Uani 1 1 d . . .
H56B H 0.2011 -0.0385 0.2973 0.064 Uiso 1 1 calc R . .
C57B C 0.2699(6) -0.0644(5) 0.3141(4) 0.049(3) Uani 1 1 d . . .
H57B H 0.2618 -0.0810 0.2834 0.059 Uiso 1 1 calc R . .
C58B C -0.0427(8) -0.0401(7) 0.2389(6) 0.113(6) Uani 1 1 d . U .
H58B H -0.0533 -0.0575 0.2079 0.136 Uiso 1 1 calc R . .
C59B C 0.0194(7) -0.0250(7) 0.2700(5) 0.108(5) Uani 1 1 d . U .
H59B H 0.0514 -0.0308 0.2609 0.129 Uiso 1 1 calc R . .
C60B C 0.0327(7) 0.0000(6) 0.3166(5) 0.081(4) Uani 1 1 d . U .
C61B C -0.0192(7) 0.0038(6) 0.3263(5) 0.085(4) Uani 1 1 d . U .
H61B H -0.0146 0.0149 0.3571 0.102 Uiso 1 1 calc R . .
C62B C -0.0748(7) -0.0079(6) 0.2929(5) 0.085(4) Uani 1 1 d . U .
H62B H -0.1056 0.0016 0.3009 0.102 Uiso 1 1 calc R . .
Pd1C Pd 0.37451(4) -0.10402(4) 0.32977(3) 0.0480(3) Uani 1 1 d . . .
P1C P 0.43566(17) -0.14267(16) 0.30842(12) 0.0572(10) Uani 1 1 d . . .
P2C P 0.30016(16) -0.19739(14) 0.32350(13) 0.0589(10) Uani 1 1 d . . .
C1C C 0.4948(5) -0.0901(4) 0.2909(4) 0.083(4) Uani 1 1 d . U .
C2C C 0.5589(5) -0.0552(5) 0.3216(3) 0.095(5) Uani 1 1 d G U .
H2C H 0.5728 -0.0624 0.3507 0.114 Uiso 1 1 calc R . .
C3C C 0.6028(4) -0.0097(4) 0.3097(4) 0.108(5) Uani 1 1 d G U .
H3C H 0.6466 0.0141 0.3307 0.130 Uiso 1 1 calc R . .
C4C C 0.5825(6) 0.0008(4) 0.2671(4) 0.112(5) Uani 1 1 d G U .
H4C H 0.6125 0.0319 0.2590 0.134 Uiso 1 1 calc R . .
C5C C 0.5184(7) -0.0341(5) 0.2364(3) 0.123(6) Uani 1 1 d G U .
H5C H 0.5046 -0.0269 0.2074 0.148 Uiso 1 1 calc R . .
C6C C 0.4746(4) -0.0796(5) 0.2483(4) 0.115(6) Uani 1 1 d G U .
H6C H 0.4308 -0.1034 0.2273 0.138 Uiso 1 1 calc R . .
C7C C 0.4828(4) -0.1612(4) 0.3542(3) 0.058(4) Uani 1 1 d . . .
C8C C 0.5055(4) -0.2022(4) 0.3455(3) 0.064(4) Uani 1 1 d G . .
H8C H 0.4942 -0.2223 0.3151 0.077 Uiso 1 1 calc R . .
C9C C 0.5447(4) -0.2137(4) 0.3815(4) 0.082(5) Uani 1 1 d G . .
H9C H 0.5602 -0.2418 0.3756 0.098 Uiso 1 1 calc R . .
C10C C 0.5612(4) -0.1843(4) 0.4261(3) 0.080(5) Uani 1 1 d G . .
H10C H 0.5880 -0.1922 0.4507 0.096 Uiso 1 1 calc R . .
C11C C 0.5386(5) -0.1433(4) 0.4348(2) 0.069(4) Uani 1 1 d G . .
H11C H 0.5499 -0.1232 0.4652 0.083 Uiso 1 1 calc R . .
C12C C 0.4994(4) -0.1318(3) 0.3988(3) 0.068(4) Uani 1 1 d G . .
H12C H 0.4839 -0.1037 0.4047 0.081 Uiso 1 1 calc R . .
C13C C 0.3902(7) -0.2061(6) 0.2596(4) 0.076(4) Uani 1 1 d . U .
H13C H 0.3677 -0.1947 0.2333 0.091 Uiso 1 1 calc R . .
H13D H 0.4214 -0.2178 0.2516 0.091 Uiso 1 1 calc R . .
C14C C 0.3383(7) -0.2602(6) 0.2681(5) 0.080(4) Uani 1 1 d . U .
H14C H 0.3213 -0.2953 0.2426 0.096 Uiso 1 1 calc R . .
H14D H 0.3603 -0.2686 0.2963 0.096 Uiso 1 1 calc R . .
C15C C 0.2795(7) -0.2519(6) 0.2726(5) 0.085(5) Uani 1 1 d . U .
H15C H 0.2456 -0.2905 0.2724 0.103 Uiso 1 1 calc R . .
H15D H 0.2599 -0.2398 0.2456 0.103 Uiso 1 1 calc R . .
C16C C 0.3247(4) -0.2239(4) 0.3732(3) 0.069(4) Uani 1 1 d . U .
C17C C 0.3129(4) -0.2826(3) 0.3700(3) 0.084(4) Uani 1 1 d G U .
H17C H 0.2909 -0.3106 0.3410 0.101 Uiso 1 1 calc R . .
C18C C 0.3335(4) -0.3005(3) 0.4091(4) 0.085(4) Uani 1 1 d G U .
H18C H 0.3254 -0.3406 0.4069 0.102 Uiso 1 1 calc R . .
C19C C 0.3658(5) -0.2596(5) 0.4514(3) 0.103(5) Uani 1 1 d G U .
H19C H 0.3798 -0.2718 0.4781 0.124 Uiso 1 1 calc R . .
C20C C 0.3776(5) -0.2009(4) 0.4546(3) 0.105(5) Uani 1 1 d G U .
H20C H 0.3997 -0.1730 0.4835 0.126 Uiso 1 1 calc R . .
C21C C 0.3571(4) -0.1831(3) 0.4155(3) 0.087(5) Uani 1 1 d G U .
H21C H 0.3651 -0.1430 0.4176 0.105 Uiso 1 1 calc R . .
C22C C 0.2204(4) -0.1993(4) 0.3207(4) 0.053(4) Uani 1 1 d . . .
C23C C 0.2103(5) -0.1844(4) 0.3603(3) 0.071(4) Uani 1 1 d G . .
H23C H 0.2424 -0.1772 0.3892 0.085 Uiso 1 1 calc R . .
C24C C 0.1532(6) -0.1800(4) 0.3576(4) 0.086(5) Uani 1 1 d G . .
H24C H 0.1463 -0.1698 0.3846 0.103 Uiso 1 1 calc R . .
C25C C 0.1062(4) -0.1905(4) 0.3153(5) 0.085(5) Uani 1 1 d G . .
H25C H 0.0673 -0.1875 0.3135 0.102 Uiso 1 1 calc R . .
C26C C 0.1163(4) -0.2054(4) 0.2757(4) 0.108(6) Uani 1 1 d G . .
H26C H 0.0842 -0.2126 0.2468 0.129 Uiso 1 1 calc R . .
C27C C 0.1734(5) -0.2098(4) 0.2784(3) 0.094(5) Uani 1 1 d G . .
H27C H 0.1803 -0.2200 0.2514 0.113 Uiso 1 1 calc R . .
Pd1D Pd 0.83727(5) 0.58734(4) 0.95589(3) 0.0519(3) Uani 1 1 d . . .
P1D P 0.93469(18) 0.59474(18) 0.99959(14) 0.0783(12) Uani 1 1 d . . .
P2D P 0.79537(18) 0.55122(18) 1.00747(12) 0.0674(11) Uani 1 1 d . . .
C1D C 0.9845(5) 0.6050(5) 0.9674(3) 0.083(4) Uani 1 1 d . U .
C2D C 1.0250(5) 0.6622(4) 0.9670(3) 0.111(6) Uani 1 1 d G U .
H2D H 1.0289 0.6955 0.9865 0.133 Uiso 1 1 calc R . .
C3D C 1.0596(5) 0.6705(4) 0.9379(4) 0.126(6) Uani 1 1 d G U .
H3D H 1.0872 0.7095 0.9376 0.151 Uiso 1 1 calc R . .
C4D C 1.0538(5) 0.6217(6) 0.9093(4) 0.129(6) Uani 1 1 d G U .
H4D H 1.0774 0.6274 0.8894 0.155 Uiso 1 1 calc R . .
C5D C 1.0133(5) 0.5646(5) 0.9097(3) 0.111(5) Uani 1 1 d G U .
H5D H 1.0094 0.5312 0.8901 0.133 Uiso 1 1 calc R . .
C6D C 0.9787(4) 0.5562(4) 0.9388(4) 0.101(5) Uani 1 1 d G U .
H6D H 0.9511 0.5172 0.9391 0.121 Uiso 1 1 calc R . .
C7D C 0.9793(5) 0.6578(4) 1.0489(3) 0.095(5) Uani 1 1 d . U .
C8D C 1.0202(6) 0.6563(5) 1.0897(4) 0.150(8) Uani 1 1 d G U .
H8D H 1.0242 0.6210 1.0925 0.180 Uiso 1 1 calc R . .
C9D C 1.0553(5) 0.7063(6) 1.1263(3) 0.160(9) Uani 1 1 d G U .
H9D H 1.0832 0.7053 1.1541 0.192 Uiso 1 1 calc R . .
C10D C 1.0494(5) 0.7579(5) 1.1221(3) 0.130(7) Uani 1 1 d G U .
H10D H 1.0733 0.7921 1.1472 0.156 Uiso 1 1 calc R . .
C11D C 1.0084(5) 0.7595(4) 1.0814(4) 0.121(6) Uani 1 1 d G U .
H11D H 1.0044 0.7947 1.0786 0.145 Uiso 1 1 calc R . .
C12D C 0.9734(4) 0.7094(5) 1.0448(3) 0.091(5) Uani 1 1 d G U .
H12D H 0.9454 0.7104 1.0169 0.109 Uiso 1 1 calc R . .
C13D C 0.9295(8) 0.5315(7) 1.0221(6) 0.110(6) Uani 1 1 d . . .
H13E H 0.9095 0.4961 0.9962 0.131 Uiso 1 1 calc R . .
H13F H 0.9748 0.5382 1.0393 0.131 Uiso 1 1 calc R . .
C14D C 0.8886(9) 0.5169(8) 1.0546(6) 0.107(6) Uani 1 1 d . . .
H14E H 0.8942 0.4853 1.0683 0.128 Uiso 1 1 calc R . .
H14F H 0.9066 0.5528 1.0797 0.128 Uiso 1 1 calc R . .
C15D C 0.8165(7) 0.4972(6) 1.0302(5) 0.083(5) Uani 1 1 d . . .
H15E H 0.7939 0.4848 1.0516 0.100 Uiso 1 1 calc R . .
H15F H 0.7991 0.4618 1.0049 0.100 Uiso 1 1 calc R . .
C16D C 0.7044(4) 0.5143(5) 0.9832(3) 0.089(5) Uani 1 1 d . U .
C17D C 0.6681(6) 0.4553(5) 0.9582(4) 0.107(5) Uani 1 1 d G U .
H17D H 0.6898 0.4317 0.9552 0.128 Uiso 1 1 calc R . .
C18D C 0.6002(6) 0.4310(4) 0.9373(3) 0.113(5) Uani 1 1 d G U .
H18D H 0.5754 0.3907 0.9202 0.136 Uiso 1 1 calc R . .
C19D C 0.5685(4) 0.4656(6) 0.9416(4) 0.132(6) Uani 1 1 d G U .
H19D H 0.5221 0.4489 0.9273 0.158 Uiso 1 1 calc R . .
C20D C 0.6048(5) 0.5245(5) 0.9667(4) 0.140(7) Uani 1 1 d G U .
H20D H 0.5832 0.5482 0.9696 0.168 Uiso 1 1 calc R . .
C21D C 0.6728(5) 0.5489(4) 0.9875(3) 0.101(5) Uani 1 1 d G U .
H21D H 0.6976 0.5892 1.0046 0.121 Uiso 1 1 calc R . .
Pd1E Pd 1.16437(6) 1.03180(5) 0.80568(5) 0.1037(6) Uani 1 1 d . . .
P1E P 1.2355(2) 1.13135(19) 0.81419(18) 0.118(2) Uani 1 1 d . U .
P2E P 1.2304(2) 1.02638(18) 0.87196(15) 0.0953(16) Uani 1 1 d . U .
C1E C 1.1874(6) 1.1613(5) 0.7747(5) 0.130(6) Uani 1 1 d . U .
C2E C 1.1839(7) 1.1598(6) 0.7301(5) 0.162(8) Uani 1 1 d G U .
H2E H 1.2090 1.1454 0.7187 0.194 Uiso 1 1 calc R . .
C3E C 1.1437(8) 1.1795(7) 0.7023(4) 0.182(9) Uani 1 1 d G U .
H3E H 1.1414 1.1785 0.6719 0.219 Uiso 1 1 calc R . .
C4E C 1.1070(7) 1.2006(7) 0.7191(5) 0.213(11) Uani 1 1 d G U .
H4E H 1.0796 1.2140 0.7001 0.256 Uiso 1 1 calc R . .
C5E C 1.1105(7) 1.2021(6) 0.7636(5) 0.175(8) Uani 1 1 d G U .
H5E H 1.0854 1.2165 0.7751 0.210 Uiso 1 1 calc R . .
C6E C 1.1506(7) 1.1824(6) 0.7915(4) 0.148(7) Uani 1 1 d G U .
H6E H 1.1530 1.1834 0.8219 0.177 Uiso 1 1 calc R . .
C7E C 1.3062(5) 1.1479(7) 0.7982(4) 0.119(6) Uani 1 1 d . U .
C8E C 1.3090(6) 1.1033(5) 0.7708(4) 0.128(6) Uani 1 1 d G U .
H8E H 1.2719 1.0652 0.7579 0.154 Uiso 1 1 calc R . .
C9E C 1.3659(8) 1.1143(6) 0.7621(4) 0.158(8) Uani 1 1 d G U .
H9E H 1.3677 1.0839 0.7434 0.190 Uiso 1 1 calc R . .
C10E C 1.4200(6) 1.1700(7) 0.7809(5) 0.143(7) Uani 1 1 d G U .
H10E H 1.4589 1.1776 0.7750 0.171 Uiso 1 1 calc R . .
C11E C 1.4172(6) 1.2146(5) 0.8083(4) 0.151(7) Uani 1 1 d G U .
H11E H 1.4543 1.2526 0.8212 0.182 Uiso 1 1 calc R . .
C12E C 1.3603(7) 1.2035(6) 0.8170(4) 0.126(6) Uani 1 1 d G U .
H12E H 1.3585 1.2340 0.8357 0.151 Uiso 1 1 calc R . .
C13E C 1.2676(8) 1.1751(7) 0.8755(6) 0.136(5) Uani 1 1 d . U .
H13G H 1.2960 1.2173 0.8784 0.163 Uiso 1 1 calc R . .
H13H H 1.2300 1.1730 0.8837 0.163 Uiso 1 1 calc R . .
C14E C 1.3082(7) 1.1512(6) 0.9099(5) 0.114(5) Uani 1 1 d . U .
H14G H 1.3338 1.1819 0.9393 0.137 Uiso 1 1 calc R . .
H14H H 1.3400 1.1459 0.8980 0.137 Uiso 1 1 calc R . .
C15E C 1.2660(7) 1.0902(6) 0.9195(5) 0.113(4) Uani 1 1 d . U .
H15G H 1.2302 1.0934 0.9275 0.136 Uiso 1 1 calc R . .
H15H H 1.2946 1.0840 0.9461 0.136 Uiso 1 1 calc R . .
C16E C 1.1863(5) 0.9639(4) 0.8930(3) 0.090(4) Uani 1 1 d . U .
C17E C 1.1511(5) 0.9692(4) 0.9197(3) 0.107(5) Uani 1 1 d G U .
H17E H 1.1538 1.0068 0.9305 0.129 Uiso 1 1 calc R . .
C18E C 1.1117(5) 0.9195(6) 0.9305(3) 0.118(6) Uani 1 1 d G U .
H18E H 1.0876 0.9231 0.9487 0.142 Uiso 1 1 calc R . .
C19E C 1.1077(5) 0.8644(5) 0.9147(3) 0.098(5) Uani 1 1 d G U .
H19E H 1.0808 0.8304 0.9221 0.118 Uiso 1 1 calc R . .
C20E C 1.1429(5) 0.8591(4) 0.8880(3) 0.084(4) Uani 1 1 d G U .
H20E H 1.1402 0.8215 0.8772 0.101 Uiso 1 1 calc R . .
C21E C 1.1823(4) 0.9089(5) 0.8772(3) 0.080(4) Uani 1 1 d G U .
H21E H 1.2064 0.9052 0.8589 0.096 Uiso 1 1 calc R . .
C22E C 1.2957(4) 1.0135(4) 0.8682(4) 0.080(5) Uani 1 1 d . . .
C23E C 1.3404(6) 1.0125(5) 0.9073(3) 0.107(6) Uani 1 1 d G . .
H23E H 1.3355 1.0190 0.9357 0.129 Uiso 1 1 calc R . .
C24E C 1.3922(5) 1.0019(5) 0.9048(4) 0.128(8) Uani 1 1 d G . .
H24E H 1.4227 1.0012 0.9316 0.154 Uiso 1 1 calc R . .
C25E C 1.3994(6) 0.9923(6) 0.8633(6) 0.121(7) Uani 1 1 d G . .
H25E H 1.4349 0.9850 0.8616 0.145 Uiso 1 1 calc R . .
C26E C 1.3548(8) 0.9933(6) 0.8242(4) 0.175(11) Uani 1 1 d G . .
H26E H 1.3597 0.9867 0.7958 0.210 Uiso 1 1 calc R . .
C27E C 1.3029(6) 1.0039(5) 0.8266(3) 0.117(7) Uani 1 1 d G . .
H27E H 1.2724 1.0046 0.7999 0.141 Uiso 1 1 calc R . .
Pd1F Pd 0.34200(5) 0.72609(4) 0.89437(3) 0.0537(3) Uani 1 1 d . . .
P1F P 0.3472(3) 0.68919(19) 0.95681(15) 0.1035(17) Uani 1 1 d . U .
P2F P 0.28325(17) 0.77128(16) 0.91037(11) 0.0618(11) Uani 1 1 d . . .
C1F C 0.3746(10) 0.6317(6) 0.9545(5) 0.154(6) Uani 1 1 d . U .
C2F C 0.3252(7) 0.5770(7) 0.9262(5) 0.162(7) Uani 1 1 d G U .
H2F H 0.2814 0.5715 0.9130 0.194 Uiso 1 1 calc R . .
C3F C 0.3398(9) 0.5302(5) 0.9173(4) 0.184(8) Uani 1 1 d G U .
H3F H 0.3060 0.4928 0.8980 0.221 Uiso 1 1 calc R . .
C4F C 0.4039(10) 0.5382(7) 0.9367(6) 0.250(13) Uani 1 1 d G U .
H4F H 0.4139 0.5063 0.9306 0.300 Uiso 1 1 calc R . .
C5F C 0.4533(8) 0.5930(8) 0.9650(5) 0.201(9) Uani 1 1 d G U .
H5F H 0.4971 0.5984 0.9783 0.241 Uiso 1 1 calc R . .
C6F C 0.4387(8) 0.6397(6) 0.9739(5) 0.205(10) Uani 1 1 d G U .
H6F H 0.4725 0.6771 0.9933 0.246 Uiso 1 1 calc R . .
C7F C 0.4110(5) 0.7389(5) 1.0094(3) 0.096(5) Uani 1 1 d . U .
C8F C 0.4067(5) 0.7295(5) 1.0509(4) 0.142(7) Uani 1 1 d G U .
H8F H 0.3690 0.6975 1.0515 0.171 Uiso 1 1 calc R . .
C9F C 0.4576(7) 0.7669(6) 1.0914(3) 0.175(9) Uani 1 1 d G U .
H9F H 0.4547 0.7605 1.1197 0.210 Uiso 1 1 calc R . .
C10F C 0.5128(6) 0.8137(6) 1.0904(3) 0.145(7) Uani 1 1 d G U .
H10F H 0.5476 0.8393 1.1181 0.174 Uiso 1 1 calc R . .
C11F C 0.5171(5) 0.8231(5) 1.0490(4) 0.117(5) Uani 1 1 d G U .
H11F H 0.5549 0.8552 1.0483 0.140 Uiso 1 1 calc R . .
C12F C 0.4662(6) 0.7857(5) 1.0085(3) 0.101(5) Uani 1 1 d G U .
H12F H 0.4692 0.7922 0.9801 0.121 Uiso 1 1 calc R . .
C13F C 0.2747(9) 0.6660(7) 0.9675(6) 0.119(6) Uani 1 1 d . U .
H13I H 0.2399 0.6322 0.9415 0.142 Uiso 1 1 calc R . .
H13J H 0.2811 0.6502 0.9947 0.142 Uiso 1 1 calc R . .
C14F C 0.2480(9) 0.7100(8) 0.9750(5) 0.109(6) Uani 1 1 d . U .
H14I H 0.2113 0.6915 0.9857 0.130 Uiso 1 1 calc R . .
H14J H 0.2830 0.7452 0.9996 0.130 Uiso 1 1 calc R . .
C15F C 0.2237(6) 0.7303(6) 0.9336(4) 0.088(5) Uani 1 1 d . U .
H15I H 0.2036 0.7553 0.9414 0.106 Uiso 1 1 calc R . .
H15J H 0.1884 0.6948 0.9094 0.106 Uiso 1 1 calc R . .
C16F C 0.3343(4) 0.8445(3) 0.9491(3) 0.052(3) Uani 1 1 d . . .
C17F C 0.4020(5) 0.8706(5) 0.9603(3) 0.084(5) Uani 1 1 d G . .
H17F H 0.4209 0.8513 0.9459 0.100 Uiso 1 1 calc R . .
C18F C 0.4420(4) 0.9249(5) 0.9924(4) 0.101(6) Uani 1 1 d G . .
H18F H 0.4882 0.9427 1.0001 0.121 Uiso 1 1 calc R . .
C19F C 0.4143(7) 0.9531(3) 1.0134(3) 0.102(7) Uani 1 1 d G . .
H19F H 0.4417 0.9903 1.0353 0.123 Uiso 1 1 calc R . .
C20F C 0.3467(8) 0.9271(5) 1.0022(3) 0.119(7) Uani 1 1 d G . .
H20F H 0.3278 0.9464 1.0165 0.143 Uiso 1 1 calc R . .
C21F C 0.3066(5) 0.8727(5) 0.9700(4) 0.088(5) Uani 1 1 d G . .
H21F H 0.2604 0.8549 0.9624 0.106 Uiso 1 1 calc R . .
C22F C 0.2377(5) 0.7810(5) 0.8583(2) 0.094(5) Uani 1 1 d . U .
C23F C 0.2664(4) 0.8307(4) 0.8431(3) 0.099(5) Uani 1 1 d G U .
H23F H 0.3071 0.8630 0.8626 0.119 Uiso 1 1 calc R . .
C24F C 0.2354(6) 0.8332(5) 0.7994(4) 0.127(6) Uani 1 1 d G U .
H24F H 0.2550 0.8672 0.7891 0.152 Uiso 1 1 calc R . .
C25F C 0.1758(6) 0.7860(6) 0.7709(3) 0.145(7) Uani 1 1 d G U .
H25F H 0.1546 0.7877 0.7410 0.174 Uiso 1 1 calc R . .
C26F C 0.1471(4) 0.7363(5) 0.7860(3) 0.133(6) Uani 1 1 d G U .
H26F H 0.1063 0.7040 0.7665 0.160 Uiso 1 1 calc R . .
C27F C 0.1780(5) 0.7338(5) 0.8297(4) 0.113(5) Uani 1 1 d G U .
H27F H 0.1584 0.6998 0.8401 0.136 Uiso 1 1 calc R . .
P1 P 1.0888(2) 0.6382(2) 0.65007(15) 0.0978(16) Uani 1 1 d D . .
F1A F 1.0330(4) 0.6303(4) 0.6028(2) 0.103(3) Uani 1 1 d D . .
F2A F 1.1096(4) 0.5948(4) 0.6235(3) 0.111(3) Uani 1 1 d D . .
F3A F 1.0674(4) 0.6826(4) 0.6753(3) 0.122(3) Uani 1 1 d D . .
F4A F 1.1441(4) 0.6467(4) 0.6977(3) 0.119(3) Uani 1 1 d D . .
F5A F 1.0354(4) 0.5827(4) 0.6589(3) 0.111(3) Uani 1 1 d D . .
F6A F 1.1403(4) 0.6945(4) 0.6409(3) 0.137(4) Uani 1 1 d D . .
P2 P 0.5000 0.0000 0.5000 0.0510(13) Uani 1 2 d S T P
F1B F 0.4618(3) -0.0443(3) 0.4508(2) 0.067(2) Uani 1 1 d . . .
F2B F 0.4534(4) 0.0277(4) 0.4881(3) 0.123(4) Uani 1 1 d . . .
F3B F 0.5468(5) 0.0451(4) 0.4822(3) 0.132(4) Uani 1 1 d . . .
P3 P 0.4121(3) 0.1147(3) 0.05385(17) 0.1227(19) Uani 1 1 d D U .
F1C F 0.4849(4) 0.1578(4) 0.0672(3) 0.111(3) Uani 1 1 d D U .
F2C F 0.4099(6) 0.1410(5) 0.0981(4) 0.192(5) Uani 1 1 d D U .
F3C F 0.3919(6) 0.1538(6) 0.0274(5) 0.217(5) Uani 1 1 d D U .
F4C F 0.4339(7) 0.0712(5) 0.0797(4) 0.216(5) Uani 1 1 d D U .
F5C F 0.4102(6) 0.0806(5) 0.0097(3) 0.196(5) Uani 1 1 d D U .
F6C F 0.3424(5) 0.0643(6) 0.0414(4) 0.227(6) Uani 1 1 d D U .
P4 P 1.0723(4) 1.0907(3) 0.8891(2) 0.067(2) Uani 0.5 1 d D U .
F1D F 1.1077(6) 1.0638(6) 0.8689(4) 0.071(4) Uani 0.5 1 d D U .
F2D F 1.0656(9) 1.0479(7) 0.9192(5) 0.118(5) Uani 0.5 1 d D U .
F3D F 1.0408(8) 1.1201(7) 0.9137(5) 0.112(5) Uani 0.5 1 d D U .
F4D F 1.0043(6) 1.0438(7) 0.8562(5) 0.122(5) Uani 0.5 1 d D U .
F5D F 1.0770(9) 1.1305(7) 0.8554(5) 0.118(5) Uani 0.5 1 d D U .
P6 P 1.2607(3) 0.8615(3) 1.17946(17) 0.1254(19) Uani 1 1 d D U .
P5 P 0.8732(3) 0.4098(3) 0.80341(19) 0.131(2) Uani 1 1 d D . .
F1F F 1.3016(4) 0.8719(4) 1.2303(2) 0.104(3) Uani 1 1 d D U .
F1E F 0.8085(5) 0.3951(4) 0.7601(4) 0.169(5) Uani 1 1 d D . .
F2E F 0.8577(6) 0.4536(5) 0.8319(4) 0.192(6) Uani 1 1 d D . .
F3E F 0.9379(6) 0.4233(5) 0.8462(4) 0.208(7) Uani 1 1 d D . .
F4E F 0.8330(7) 0.3534(5) 0.8186(4) 0.252(9) Uani 1 1 d D . .
F5E F 0.9133(6) 0.4659(6) 0.7870(4) 0.213(7) Uani 1 1 d D . .
F2F F 1.3270(6) 0.8876(7) 1.1730(4) 0.224(5) Uani 1 1 d D U .
F3F F 1.1968(5) 0.8438(7) 1.1889(4) 0.210(5) Uani 1 1 d D U .
F4F F 1.2640(7) 0.9245(6) 1.1852(5) 0.212(5) Uani 1 1 d D U .
F6E F 0.8883(7) 0.3667(6) 0.7739(5) 0.258(9) Uani 1 1 d D . .
F5F F 1.2544(8) 0.7984(6) 1.1725(4) 0.233(6) Uani 1 1 d D U .
F6F F 1.2209(7) 0.8517(7) 1.1291(4) 0.244(6) Uani 1 1 d D U .
P8 P 1.3331(5) 1.2692(3) 1.0172(3) 0.096(3) Uani 0.5 1 d D . .
F1H F 1.2851(8) 1.2023(5) 0.9956(5) 0.136(8) Uani 0.5 1 d D . .
F2H F 1.3280(12) 1.2822(8) 0.9691(5) 0.181(11) Uani 0.5 1 d D . .
F3H F 1.2720(8) 1.2803(9) 1.0141(6) 0.189(13) Uani 0.5 1 d D . .
F4H F 1.3458(8) 1.2611(8) 1.0675(5) 0.132(7) Uani 0.5 1 d D . .
F5H F 1.3939(8) 1.2606(9) 1.0166(7) 0.226(16) Uani 0.5 1 d D . .
F6H F 1.3796(9) 1.3370(6) 1.0399(6) 0.157(9) Uani 0.5 1 d D . .
P9 P 0.5491(3) 0.3476(2) 0.7692(2) 0.0526(16) Uani 0.5 1 d D U .
F1I F 0.5572(6) 0.4056(4) 0.7560(4) 0.063(3) Uani 0.5 1 d D U .
F2I F 0.5793(6) 0.3340(5) 0.7364(4) 0.078(3) Uani 0.5 1 d D U .
F3I F 0.5493(7) 0.2925(5) 0.7865(5) 0.090(3) Uani 0.5 1 d D U .
F4I F 0.6228(5) 0.3852(5) 0.8038(4) 0.081(3) Uani 0.5 1 d D U .
F5I F 0.5350(6) 0.3640(6) 0.8105(4) 0.080(3) Uani 0.5 1 d D U .
F6I F 0.4797(5) 0.3116(6) 0.7407(5) 0.090(3) Uani 0.5 1 d D U .
P10 P 0.1472(4) 0.5520(3) 0.8216(3) 0.083(3) Uani 0.5 1 d D U .
F1J F 0.2073(6) 0.6097(5) 0.8519(5) 0.097(4) Uani 0.5 1 d D U .
F2J F 0.1056(7) 0.5840(7) 0.8178(6) 0.125(5) Uani 0.5 1 d D U .
F3J F 0.1613(9) 0.5755(7) 0.7830(5) 0.147(6) Uani 0.5 1 d D U .
F4J F 0.1903(8) 0.5236(6) 0.8248(6) 0.131(5) Uani 0.5 1 d D U .
F5J F 0.1388(9) 0.5389(8) 0.8639(5) 0.151(6) Uani 0.5 1 d D U .
F6J F 0.0893(8) 0.4992(7) 0.7898(6) 0.171(7) Uani 0.5 1 d D U .
P11 P 0.8605(8) 0.8426(7) 0.8476(5) 0.105(5) Uani 0.25 1 d D U .
F1K F 0.9287(11) 0.8486(11) 0.8787(8) 0.098(7) Uani 0.25 1 d D U .
F2K F 0.8585(12) 0.7956(10) 0.8100(8) 0.091(7) Uani 0.25 1 d D U .
F3K F 0.8994(13) 0.8940(10) 0.8278(9) 0.109(7) Uani 0.25 1 d D U .
F4K F 0.8638(13) 0.8906(11) 0.8841(8) 0.111(7) Uani 0.25 1 d D U .
F5K F 0.7948(12) 0.8366(13) 0.8120(8) 0.124(8) Uani 0.25 1 d D U .
F6K F 0.8194(12) 0.7918(11) 0.8658(9) 0.108(7) Uani 0.25 1 d D U .
P12 P 0.7685(4) 0.1922(4) 0.4884(3) 0.099(3) Uani 0.5 1 d D U .
F1L F 0.7418(8) 0.2373(7) 0.4960(6) 0.132(5) Uani 0.5 1 d D U .
F2L F 0.7016(7) 0.1560(7) 0.4549(5) 0.125(5) Uani 0.5 1 d D U .
F3L F 0.7881(8) 0.1447(7) 0.4784(6) 0.143(6) Uani 0.5 1 d D U .
F4L F 0.7944(9) 0.2195(8) 0.4543(6) 0.153(6) Uani 0.5 1 d D U .
F5L F 0.7467(10) 0.1696(9) 0.5261(6) 0.172(7) Uani 0.5 1 d D U .
F6L F 0.8324(8) 0.2338(9) 0.5254(6) 0.205(7) Uani 0.5 1 d D U .
F6D F 1.1384(10) 1.1401(9) 0.9219(6) 0.135(5) Uani 0.5 1 d . U .
P13 P 0.9682(5) 0.8594(6) 0.5347(4) 0.192(6) Uani 0.5 1 d D U .
F1M F 0.9621(11) 0.8568(10) 0.5841(6) 0.228(8) Uani 0.5 1 d D U .
F2M F 0.8952(8) 0.8480(9) 0.5089(7) 0.185(7) Uani 0.5 1 d D U .
F3M F 0.9787(10) 0.8657(10) 0.4874(6) 0.207(8) Uani 0.5 1 d D U .
F4M F 0.9463(10) 0.7907(8) 0.5247(7) 0.214(8) Uani 0.5 1 d D U .
F5M F 0.9873(11) 0.9282(8) 0.5446(8) 0.247(9) Uani 0.5 1 d D U .
F6M F 1.0425(9) 0.8733(11) 0.5599(8) 0.244(9) Uani 0.5 1 d D U .
P7 P 0.3414(4) 0.5532(3) 0.6276(2) 0.186(3) Uani 1 1 d . U .
F1G F 0.3286(6) 0.5372(5) 0.5733(4) 0.171(4) Uani 1 1 d . U .
F2G F 0.2809(6) 0.5796(5) 0.6224(4) 0.177(4) Uani 1 1 d . U .
F3G F 0.2850(6) 0.4917(5) 0.6285(4) 0.170(4) Uani 1 1 d . U .
F4G F 0.3587(7) 0.5762(6) 0.6850(4) 0.224(5) Uani 1 1 d . U .
F5G F 0.3988(7) 0.5289(6) 0.6303(5) 0.225(5) Uani 1 1 d . U .
F6G F 0.4015(7) 0.6167(6) 0.6307(4) 0.215(5) Uani 1 1 d . U .
O12 O 0.2809(8) 0.0219(7) 0.5151(6) 0.064(5) Uiso 0.5 1 d . . .
O15 O 0.3035(8) 0.0212(7) 0.5844(6) 0.068(5) Uiso 0.5 1 d . . .
N18 N 0.3044(10) 0.0070(9) 0.5453(7) 0.057(6) Uiso 0.5 1 d . . .
C33 C 0.3421(11) -0.0182(10) 0.5411(8) 0.053(7) Uiso 0.5 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0171 0.0103 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Pd Pd -0.9988 1.0072 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C23D C22D C27D 120.0 . .
C23D C22D P2D 118.3(9) . .
C27D C22D P2D 121.6(9) . .
C22D C23D H23D 120.0 . .
C22D C23D C24D 120.0 . .
C24D C23D H23D 120.0 . .
C23D C24D H24D 120.0 . .
C23D C24D C25D 120.0 . .
C25D C24D H24D 120.0 . .
C24D C25D H25D 120.0 . .
C26D C25D C24D 120.0 . .
C26D C25D H25D 120.0 . .
C25D C26D H26D 120.0 . .
C27D C26D C25D 120.0 . .
C27D C26D H26D 120.0 . .
C22D C27D H27D 120.0 . .
C26D C27D C22D 120.0 . .
C26D C27D H27D 120.0 . .
N1A Ru1A N3A 159.1(4) . .
N1A Ru1A N6A 89.8(4) . .
N1A Ru1A N8A 92.5(4) . .
N2A Ru1A N1A 80.6(4) . .
N2A Ru1A N3A 78.8(4) . .
N2A Ru1A N6A 104.3(4) . .
N2A Ru1A N8A 98.0(4) . .
N6A Ru1A N3A 91.8(4) . .
N6A Ru1A N8A 157.7(4) . .
N7A Ru1A N1A 98.8(4) . .
N7A Ru1A N2A 177.8(4) . .
N7A Ru1A N3A 102.0(4) . .
N7A Ru1A N6A 77.9(4) . .
N7A Ru1A N8A 79.9(5) . .
N8A Ru1A N3A 93.9(4) . .
C1A N1A Ru1A 129.9(9) . .
C1A N1A C5A 116.7(11) . .
C5A N1A Ru1A 113.1(8) . .
C6A N2A Ru1A 119.0(8) . .
C6A N2A C10A 116.2(10) . .
C10A N2A Ru1A 122.5(9) . .
C11A N3A Ru1A 112.8(8) . .
C15A N3A Ru1A 128.0(9) . .
C15A N3A C11A 119.2(11) . .
C22A N4A C26A 116.9(13) . .
C22A N4A Pd1E 122.1(11) . .
C26A N4A Pd1E 120.7(9) . .
C27A N5A Pd1D 119.7(10) . .
C31A N5A C27A 118.5(12) . .
C31A N5A Pd1D 121.3(10) . .
C32A N6A Ru1A 128.8(8) . .
C32A N6A C36A 112.9(10) . .
C36A N6A Ru1A 117.9(8) . .
C37A N7A Ru1A 121.3(8) . .
C37A N7A C41A 120.3(10) . .
C41A N7A Ru1A 118.3(9) . .
C42A N8A Ru1A 115.7(9) . .
C46A N8A Ru1A 129.7(11) . .
C46A N8A C42A 114.1(12) . .
C53A N9A Pd1F 118.8(8) . 2_666
C57A N9A C53A 118.9(10) . .
C57A N9A Pd1F 121.1(8) . 2_666
C58A N10A C62A 116.4(11) . .
C58A N10A Pd1C 121.3(8) . .
C62A N10A Pd1C 122.3(8) . .
N1A C1A H1A 117.5 . .
N1A C1A C2A 125.0(13) . .
C2A C1A H1A 117.5 . .
C1A C2A H2A 119.3 . .
C1A C2A C3A 121.5(13) . .
C3A C2A H2A 119.3 . .
C2A C3A H3A 121.9 . .
C2A C3A C4A 116.3(12) . .
C4A C3A H3A 121.9 . .
C3A C4A H4A 119.9 . .
C5A C4A C3A 120.2(12) . .
C5A C4A H4A 119.9 . .
N1A C5A C6A 113.3(11) . .
C4A C5A N1A 120.2(12) . .
C4A C5A C6A 126.4(12) . .
N2A C6A C5A 112.3(11) . .
N2A C6A C7A 122.6(11) . .
C7A C6A C5A 125.0(12) . .
C6A C7A H7A 119.9 . .
C8A C7A C6A 120.2(11) . .
C8A C7A H7A 119.9 . .
C7A C8A C9A 115.0(12) . .
C7A C8A C16A 122.4(13) . .
C9A C8A C16A 122.4(13) . .
C8A C9A H9A 118.5 . .
C10A C9A C8A 123.1(12) . .
C10A C9A H9A 118.5 . .
N2A C10A C11A 108.1(11) . .
C9A C10A N2A 122.5(12) . .
C9A C10A C11A 129.4(13) . .
N3A C11A C10A 116.5(11) . .
N3A C11A C12A 121.7(11) . .
C12A C11A C10A 121.7(12) . .
C11A C12A H12A 121.6 . .
C13A C12A C11A 116.8(11) . .
C13A C12A H12A 121.6 . .
C12A C13A H13A 119.0 . .
C12A C13A C14A 122.0(12) . .
C14A C13A H13A 119.0 . .
C13A C14A H14A 120.6 . .
C15A C14A C13A 118.8(13) . .
C15A C14A H14A 120.6 . .
N3A C15A H15A 119.3 . .
C14A C15A N3A 121.4(13) . .
C14A C15A H15A 119.3 . .
C8A C16A C17A 121.6(13) . .
C21A C16A C8A 120.9(12) . .
C21A C16A C17A 117.6(13) . .
C16A C17A H17A 119.7 . .
C18A C17A C16A 120.6(14) . .
C18A C17A H17A 119.7 . .
C17A C18A C19A 121.1(13) . .
C17A C18A C24A 123.5(14) . .
C19A C18A C24A 115.3(12) . .
C18A C19A H19A 119.7 . .
C20A C19A C18A 120.6(12) . .
C20A C19A H19A 119.7 . .
C19A C20A C21A 114.3(12) . .
C19A C20A C29A 124.9(13) . .
C21A C20A C29A 120.8(12) . .
C16A C21A C20A 125.7(13) . .
C16A C21A H21A 117.1 . .
C20A C21A H21A 117.1 . .
N4A C22A H22A 116.7 . .
N4A C22A C23A 126.5(14) . .
C23A C22A H22A 116.7 . .
C22A C23A H23A 121.8 . .
C22A C23A C24A 116.4(12) . .
C24A C23A H23A 121.8 . .
C23A C24A C18A 118.9(12) . .
C23A C24A C25A 117.4(13) . .
C25A C24A C18A 123.7(13) . .
C24A C25A H25A 120.6 . .
C26A C25A C24A 118.9(14) . .
C26A C25A H25A 120.6 . .
N4A C26A C25A 122.8(14) . .
N4A C26A H26A 118.6 . .
C25A C26A H26A 118.6 . .
N5A C27A H27A 118.8 . .
N5A C27A C28A 122.4(14) . .
C28A C27A H27A 118.8 . .
C27A C28A H28A 121.6 . .
C27A C28A C29A 116.8(14) . .
C29A C28A H28A 121.6 . .
C28A C29A C20A 116.7(14) . .
C30A C29A C20A 125.2(14) . .
C30A C29A C28A 118.1(13) . .
C29A C30A H30A 119.8 . .
C29A C30A C31A 120.4(13) . .
C31A C30A H30A 119.8 . .
N5A C31A C30A 123.4(13) . .
N5A C31A H31A 118.3 . .
C30A C31A H31A 118.3 . .
N6A C32A H32A 117.0 . .
N6A C32A C33A 125.9(12) . .
C33A C32A H32A 117.0 . .
C32A C33A H33A 121.5 . .
C32A C33A C34A 116.9(12) . .
C34A C33A H33A 121.5 . .
C33A C34A H34A 120.7 . .
C33A C34A C35A 118.5(13) . .
C35A C34A H34A 120.8 . .
C34A C35A H35A 120.1 . .
C36A C35A C34A 119.9(13) . .
C36A C35A H35A 120.1 . .
N6A C36A C37A 110.3(11) . .
C35A C36A N6A 125.8(12) . .
C35A C36A C37A 123.9(12) . .
N7A C37A C36A 112.4(10) . .
N7A C37A C38A 122.1(11) . .
C38A C37A C36A 125.5(12) . .
C37A C38A H38A 121.8 . .
C37A C38A C39A 116.4(11) . .
C39A C38A H38A 121.8 . .
C38A C39A C47A 118.5(12) . .
C40A C39A C38A 122.2(12) . .
C40A C39A C47A 119.4(12) . .
C39A C40A H40A 120.8 . .
C39A C40A C41A 118.3(12) . .
C41A C40A H40A 120.8 . .
N7A C41A C40A 120.6(12) . .
N7A C41A C42A 115.3(11) . .
C40A C41A C42A 124.0(12) . .
N8A C42A C41A 110.5(12) . .
C43A C42A N8A 124.1(13) . .
C43A C42A C41A 125.3(13) . .
C42A C43A H43A 120.4 . .
C42A C43A C44A 119.1(14) . .
C44A C43A H43A 120.4 . .
C43A C44A H44A 118.3 . .
C45A C44A C43A 123.4(14) . .
C45A C44A H44A 118.3 . .
C44A C45A H45A 121.9 . .
C44A C45A C46A 116.1(16) . .
C46A C45A H45A 121.9 . .
N8A C46A C45A 123.1(15) . .
N8A C46A H46A 118.5 . .
C45A C46A H46A 118.5 . .
C48A C47A C39A 120.6(11) . .
C52A C47A C39A 121.6(12) . .
C52A C47A C48A 117.7(12) . .
C47A C48A H48A 118.5 . .
C47A C48A C49A 122.9(12) . .
C49A C48A H48A 118.5 . .
C48A C49A C55A 120.5(11) . .
C50A C49A C48A 114.7(11) . .
C50A C49A C55A 124.8(11) . .
C49A C50A H50A 117.5 . .
C49A C50A C51A 125.0(11) . .
C51A C50A H50A 117.5 . .
C50A C51A C60A 121.1(11) . .
C52A C51A C50A 116.0(12) . .
C52A C51A C60A 122.0(11) . .
C47A C52A H52A 118.5 . .
C51A C52A C47A 123.1(12) . .
C51A C52A H52A 118.5 . .
N9A C53A H53A 119.5 . .
C54A C53A N9A 121.1(10) . .
C54A C53A H53A 119.5 . .
C53A C54A H54A 119.8 . .
C53A C54A C55A 120.5(10) . .
C55A C54A H54A 119.8 . .
C54A C55A C49A 123.1(10) . .
C54A C55A C56A 116.7(11) . .
C56A C55A C49A 120.0(12) . .
C55A C56A H56A 119.9 . .
C57A C56A C55A 120.2(11) . .
C57A C56A H56A 119.9 . .
N9A C57A C56A 122.5(10) . .
N9A C57A H57A 118.7 . .
C56A C57A H57A 118.7 . .
N10A C58A H58A 118.6 . .
N10A C58A C59A 122.8(12) . .
C59A C58A H58A 118.6 . .
C58A C59A H59A 119.0 . .
C58A C59A C60A 122.0(12) . .
C60A C59A H59A 119.0 . .
C59A C60A C51A 121.9(11) . .
C61A C60A C51A 121.0(11) . .
C61A C60A C59A 117.0(11) . .
C60A C61A H61A 121.3 . .
C60A C61A C62A 117.4(11) . .
C62A C61A H61A 121.3 . .
N10A C62A C61A 124.1(12) . .
N10A C62A H62A 118.0 . .
C61A C62A H62A 118.0 . .
N1B Ru1B N3B 157.8(4) . .
N1B Ru1B N6B 92.0(4) . .
N1B Ru1B N8B 91.8(4) . .
N2B Ru1B N1B 79.5(4) . .
N2B Ru1B N3B 78.4(4) . .
N2B Ru1B N6B 103.7(4) . .
N2B Ru1B N8B 97.9(4) . .
N6B Ru1B N3B 92.0(3) . .
N6B Ru1B N8B 158.4(4) . .
N7B Ru1B N1B 98.5(4) . .
N7B Ru1B N2B 176.8(4) . .
N7B Ru1B N3B 103.7(4) . .
N7B Ru1B N6B 78.7(4) . .
N7B Ru1B N8B 79.7(4) . .
N8B Ru1B N3B 92.4(4) . .
C1B N1B Ru1B 129.1(8) . .
C1B N1B C5B 116.5(10) . .
C5B N1B Ru1B 114.1(8) . .
C6B N2B Ru1B 119.2(7) . .
C10B N2B Ru1B 121.3(7) . .
C10B N2B C6B 119.4(9) . .
C11B N3B Ru1B 113.8(8) . .
C15B N3B Ru1B 129.2(9) . .
C15B N3B C11B 117.1(11) . .
C22B N4B C26B 116.1(10) . .
C22B N4B Pd1D 120.8(9) . .
C26B N4B Pd1D 122.8(8) . .
C27B N5B C31B 118.1(12) . .
C27B N5B Pd1F 122.0(9) . .
C31B N5B Pd1F 119.4(9) . .
C32B N6B Ru1B 126.8(8) . .
C32B N6B C36B 118.4(9) . .
C36B N6B Ru1B 114.8(7) . .
C37B N7B Ru1B 118.6(8) . .
C41B N7B Ru1B 117.7(8) . .
C41B N7B C37B 123.6(10) . .
C42B N8B Ru1B 112.2(8) . .
C46B N8B Ru1B 126.7(9) . .
C46B N8B C42B 121.1(11) . .
C53B N9B C57B 119.3(11) . .
C53B N9B Pd1C 122.4(9) . .
C57B N9B Pd1C 118.2(9) . .
C58B N10B Pd1E 112.5(11) . 2_666
C62B N10B C58B 116.9(13) . .
C62B N10B Pd1E 127.4(11) . 2_666
N1B C1B H1B 116.3 . .
N1B C1B C2B 127.4(12) . .
C2B C1B H1B 116.3 . .
C1B C2B H2B 122.2 . .
C1B C2B C3B 115.7(12) . .
C3B C2B H2B 122.2 . .
C2B C3B H3B 120.3 . .
C2B C3B C4B 119.5(12) . .
C4B C3B H3B 120.3 . .
C3B C4B H4B 119.2 . .
C5B C4B C3B 121.6(12) . .
C5B C4B H4B 119.2 . .
N1B C5B C6B 115.5(10) . .
C4B C5B N1B 119.1(12) . .
C4B C5B C6B 125.3(11) . .
N2B C6B C5B 111.4(10) . .
C7B C6B N2B 119.3(11) . .
C7B C6B C5B 129.3(11) . .
C6B C7B H7B 118.5 . .
C6B C7B C8B 122.9(11) . .
C8B C7B H7B 118.5 . .
C7B C8B C9B 116.8(10) . .
C7B C8B C16B 120.9(12) . .
C9B C8B C16B 121.9(12) . .
C8B C9B H9B 119.6 . .
C10B C9B C8B 120.7(11) . .
C10B C9B H9B 119.6 . .
N2B C10B C11B 110.6(10) . .
C9B C10B N2B 120.8(11) . .
C9B C10B C11B 128.6(12) . .
N3B C11B C10B 115.9(11) . .
N3B C11B C12B 120.6(12) . .
C12B C11B C10B 123.2(12) . .
C11B C12B H12B 119.1 . .
C11B C12B C13B 121.8(14) . .
C13B C12B H12B 119.1 . .
C12B C13B H13B 122.2 . .
C14B C13B C12B 115.6(15) . .
C14B C13B H13B 122.2 . .
C13B C14B H14B 119.0 . .
C13B C14B C15B 122.1(14) . .
C15B C14B H14B 119.0 . .
N3B C15B C14B 122.7(13) . .
N3B C15B H15B 118.6 . .
C14B C15B H15B 118.6 . .
C17B C16B C8B 120.7(12) . .
C21B C16B C8B 121.3(12) . .
C21B C16B C17B 118.0(12) . .
C16B C17B H17B 116.6 . .
C16B C17B C18B 126.9(12) . .
C18B C17B H17B 116.6 . .
C19B C18B C17B 112.1(12) . .
C19B C18B C24B 120.6(11) . .
C24B C18B C17B 127.1(12) . .
C18B C19B H19B 117.5 . .
C18B C19B C20B 125.1(12) . .
C20B C19B H19B 117.5 . .
C19B C20B C29B 121.1(12) . .
C21B C20B C19B 116.9(12) . .
C21B C20B C29B 121.9(11) . .
C16B C21B C20B 120.9(12) . .
C16B C21B H21B 119.5 . .
C20B C21B H21B 119.5 . .
N4B C22B H22B 118.9 . .
N4B C22B C23B 122.2(11) . .
C23B C22B H22B 118.9 . .
C22B C23B H23B 119.7 . .
C24B C23B C22B 120.6(12) . .
C24B C23B H23B 119.7 . .
C18B C24B C25B 122.3(12) . .
C23B C24B C18B 120.2(12) . .
C23B C24B C25B 117.4(11) . .
C24B C25B H25B 119.6 . .
C26B C25B C24B 120.8(13) . .
C26B C25B H25B 119.6 . .
N4B C26B H26B 118.7 . .
C25B C26B N4B 122.5(12) . .
C25B C26B H26B 118.7 . .
N5B C27B H27B 116.9 . .
N5B C27B C28B 126.1(13) . .
C28B C27B H27B 116.9 . .
C27B C28B H28B 123.1 . .
C29B C28B C27B 113.7(13) . .
C29B C28B H28B 123.1 . .
C28B C29B C20B 119.4(13) . .
C30B C29B C20B 121.6(12) . .
C30B C29B C28B 119.0(12) . .
C29B C30B H30B 120.3 . .
C31B C30B C29B 119.4(12) . .
C31B C30B H30B 120.3 . .
N5B C31B C30B 123.6(13) . .
N5B C31B H31B 118.2 . .
C30B C31B H31B 118.2 . .
N6B C32B H32B 118.1 . .
N6B C32B C33B 123.9(11) . .
C33B C32B H32B 118.1 . .
C32B C33B H33B 121.5 . .
C32B C33B C34B 117.0(12) . .
C34B C33B H33B 121.5 . .
C33B C34B H34B 120.5 . .
C33B C34B C35B 118.9(11) . .
C35B C34B H34B 120.5 . .
C34B C35B H35B 120.6 . .
C36B C35B C34B 118.8(11) . .
C36B C35B H35B 120.6 . .
N6B C36B C37B 114.6(9) . .
C35B C36B N6B 122.8(10) . .
C35B C36B C37B 122.4(10) . .
N7B C37B C36B 113.3(10) . .
N7B C37B C38B 118.5(11) . .
C38B C37B C36B 128.2(11) . .
C37B C38B H38B 119.9 . .
C37B C38B C39B 120.2(11) . .
C39B C38B H38B 119.9 . .
C38B C39B C47B 120.4(11) . .
C40B C39B C38B 117.5(11) . .
C40B C39B C47B 122.0(12) . .
C39B C40B H40B 120.1 . .
C41B C40B C39B 119.8(11) . .
C41B C40B H40B 120.1 . .
N7B C41B C40B 120.0(11) . .
N7B C41B C42B 115.4(10) . .
C40B C41B C42B 124.5(12) . .
N8B C42B C41B 114.9(11) . .
C43B C42B N8B 119.4(12) . .
C43B C42B C41B 125.4(12) . .
C42B C43B H43B 120.7 . .
C42B C43B C44B 118.5(13) . .
C44B C43B H43B 120.7 . .
C43B C44B H44B 119.0 . .
C43B C44B C45B 122.1(13) . .
C45B C44B H44B 119.0 . .
C44B C45B H45B 121.3 . .
C46B C45B C44B 117.5(14) . .
C46B C45B H45B 121.3 . .
N8B C46B C45B 121.3(13) . .
N8B C46B H46B 119.4 . .
C45B C46B H46B 119.4 . .
C48B C47B C39B 122.9(10) . .
C48B C47B C52B 115.1(12) . .
C52B C47B C39B 122.0(12) . .
C47B C48B H48B 119.1 . .
C49B C48B C47B 121.8(11) . .
C49B C48B H48B 119.1 . .
C48B C49B C50B 118.9(12) . .
C48B C49B C55B 120.4(11) . .
C50B C49B C55B 120.6(11) . .
C49B C50B H50B 119.3 . .
C51B C50B C49B 121.4(12) . .
C51B C50B H50B 119.3 . .
C50B C51B C60B 121.7(12) . .
C52B C51B C50B 120.2(12) . .
C52B C51B C60B 118.0(13) . .
C47B C52B H52B 118.8 . .
C51B C52B C47B 122.5(13) . .
C51B C52B H52B 118.8 . .
N9B C53B H53B 119.4 . .
N9B C53B C54B 121.2(12) . .
C54B C53B H53B 119.4 . .
C53B C54B H54B 119.6 . .
C53B C54B C55B 120.8(12) . .
C55B C54B H54B 119.6 . .
C54B C55B C49B 125.1(12) . .
C56B C55B C49B 120.4(11) . .
C56B C55B C54B 114.3(12) . .
C55B C56B H56B 119.0 . .
C57B C56B C55B 122.0(12) . .
C57B C56B H56B 119.0 . .
N9B C57B H57B 118.9 . .
C56B C57B N9B 122.3(12) . .
C56B C57B H57B 118.9 . .
N10B C58B H58B 118.3 . .
N10B C58B C59B 123.3(16) . .
C59B C58B H58B 118.3 . .
C58B C59B H59B 121.8 . .
C58B C59B C60B 116.4(16) . .
C60B C59B H59B 121.8 . .
C59B C60B C51B 117.1(14) . .
C61B C60B C51B 126.2(14) . .
C61B C60B C59B 116.8(13) . .
C60B C61B H61B 119.7 . .
C62B C61B C60B 120.6(16) . .
C62B C61B H61B 119.7 . .
N10B C62B C61B 125.3(17) . .
N10B C62B H62B 117.4 . .
C61B C62B H62B 117.4 . .
N10A Pd1C P1C 91.2(3) . .
N10A Pd1C P2C 176.5(3) . .
N9B Pd1C N10A 87.3(3) . .
N9B Pd1C P1C 177.9(3) . .
N9B Pd1C P2C 92.5(2) . .
P2C Pd1C P1C 88.87(13) . .
C1C P1C Pd1C 111.1(4) . .
C1C P1C C7C 105.2(5) . .
C1C P1C C13C 103.2(6) . .
C7C P1C Pd1C 112.5(4) . .
C7C P1C C13C 108.9(6) . .
C13C P1C Pd1C 115.1(5) . .
C15C P2C Pd1C 114.7(5) . .
C15C P2C C16C 109.4(6) . .
C15C P2C C22C 104.7(6) . .
C16C P2C Pd1C 112.4(3) . .
C16C P2C C22C 104.2(5) . .
C22C P2C Pd1C 110.7(3) . .
C2C C1C P1C 120.0(7) . .
C2C C1C C6C 120.0 . .
C6C C1C P1C 119.6(7) . .
C1C C2C H2C 120.0 . .
C3C C2C C1C 120.0 . .
C3C C2C H2C 120.0 . .
C2C C3C H3C 120.0 . .
C4C C3C C2C 120.0 . .
C4C C3C H3C 120.0 . .
C3C C4C H4C 120.0 . .
C3C C4C C5C 120.0 . .
C5C C4C H4C 120.0 . .
C4C C5C H5C 120.0 . .
C4C C5C C6C 120.0 . .
C6C C5C H5C 120.0 . .
C1C C6C H6C 120.0 . .
C5C C6C C1C 120.0 . .
C5C C6C H6C 120.0 . .
C8C C7C P1C 120.9(6) . .
C8C C7C C12C 120.0 . .
C12C C7C P1C 119.0(6) . .
C7C C8C H8C 120.0 . .
C7C C8C C9C 120.0 . .
C9C C8C H8C 120.0 . .
C8C C9C H9C 120.0 . .
C10C C9C C8C 120.0 . .
C10C C9C H9C 120.0 . .
C9C C10C H10C 120.0 . .
C9C C10C C11C 120.0 . .
C11C C10C H10C 120.0 . .
C10C C11C H11C 120.0 . .
C12C C11C C10C 120.0 . .
C12C C11C H11C 120.0 . .
C7C C12C H12C 120.0 . .
C11C C12C C7C 120.0 . .
C11C C12C H12C 120.0 . .
P1C C13C H13C 109.0 . .
P1C C13C H13D 109.0 . .
H13C C13C H13D 107.8 . .
C14C C13C P1C 112.8(9) . .
C14C C13C H13C 109.0 . .
C14C C13C H13D 109.0 . .
C13C C14C H14C 108.6 . .
C13C C14C H14D 108.6 . .
H14C C14C H14D 107.6 . .
C15C C14C C13C 114.6(12) . .
C15C C14C H14C 108.6 . .
C15C C14C H14D 108.6 . .
P2C C15C H15C 108.6 . .
P2C C15C H15D 108.6 . .
C14C C15C P2C 114.4(9) . .
C14C C15C H15C 108.6 . .
C14C C15C H15D 108.7 . .
H15C C15C H15D 107.6 . .
C17C C16C P2C 122.4(6) . .
C17C C16C C21C 120.0 . .
C21C C16C P2C 117.6(6) . .
C16C C17C H17C 120.0 . .
C18C C17C C16C 120.0 . .
C18C C17C H17C 120.0 . .
C17C C18C H18C 120.0 . .
C17C C18C C19C 120.0 . .
C19C C18C H18C 120.0 . .
C18C C19C H19C 120.0 . .
C20C C19C C18C 120.0 . .
C20C C19C H19C 120.0 . .
C19C C20C H20C 120.0 . .
C21C C20C C19C 120.0 . .
C21C C20C H20C 120.0 . .
C16C C21C H21C 120.0 . .
C20C C21C C16C 120.0 . .
C20C C21C H21C 120.0 . .
C23C C22C P2C 120.7(7) . .
C23C C22C C27C 120.0 . .
C27C C22C P2C 119.0(7) . .
C22C C23C H23C 120.0 . .
C24C C23C C22C 120.0 . .
C24C C23C H23C 120.0 . .
C23C C24C H24C 120.0 . .
C23C C24C C25C 120.0 . .
C25C C24C H24C 120.0 . .
C24C C25C H25C 120.0 . .
C24C C25C C26C 120.0 . .
C26C C25C H25C 120.0 . .
C25C C26C H26C 120.0 . .
C27C C26C C25C 120.0 . .
C27C C26C H26C 120.0 . .
C22C C27C H27C 120.0 . .
C26C C27C C22C 120.0 . .
C26C C27C H27C 120.0 . .
N5A Pd1D P1D 94.1(3) . .
N5A Pd1D P2D 176.1(3) . .
N4B Pd1D N5A 84.5(4) . .
N4B Pd1D P1D 178.4(3) . .
N4B Pd1D P2D 92.5(3) . .
P1D Pd1D P2D 88.91(15) . .
C1D P1D Pd1D 108.7(4) . .
C1D P1D C7D 106.3(6) . .
C1D P1D C13D 108.6(7) . .
C7D P1D Pd1D 113.2(4) . .
C13D P1D Pd1D 114.7(5) . .
C13D P1D C7D 105.0(7) . .
C22D P2D Pd1D 113.2(5) . .
C22D P2D C15D 103.9(7) . .
C22D P2D C16D 105.7(6) . .
C15D P2D Pd1D 117.3(5) . .
C15D P2D C16D 104.5(6) . .
C16D P2D Pd1D 111.2(3) . .
C2D C1D P1D 119.7(8) . .
C2D C1D C6D 120.0 . .
C6D C1D P1D 119.9(8) . .
C1D C2D H2D 120.0 . .
C3D C2D C1D 120.0 . .
C3D C2D H2D 120.0 . .
C2D C3D H3D 120.0 . .
C4D C3D C2D 120.0 . .
C4D C3D H3D 120.0 . .
C3D C4D H4D 120.0 . .
C3D C4D C5D 120.0 . .
C5D C4D H4D 120.0 . .
C4D C5D H5D 120.0 . .
C4D C5D C6D 120.0 . .
C6D C5D H5D 120.0 . .
C1D C6D H6D 120.0 . .
C5D C6D C1D 120.0 . .
C5D C6D H6D 120.0 . .
C8D C7D P1D 121.8(7) . .
C8D C7D C12D 120.0 . .
C12D C7D P1D 118.2(7) . .
C7D C8D H8D 120.0 . .
C7D C8D C9D 120.0 . .
C9D C8D H8D 120.0 . .
C8D C9D H9D 120.0 . .
C8D C9D C10D 120.0 . .
C10D C9D H9D 120.0 . .
C9D C10D H10D 120.0 . .
C11D C10D C9D 120.0 . .
C11D C10D H10D 120.0 . .
C10D C11D H11D 120.0 . .
C10D C11D C12D 120.0 . .
C12D C11D H11D 120.0 . .
C7D C12D H12D 120.0 . .
C11D C12D C7D 120.0 . .
C11D C12D H12D 120.0 . .
P1D C13D H13E 108.3 . .
P1D C13D H13F 108.3 . .
H13E C13D H13F 107.4 . .
C14D C13D P1D 115.9(11) . .
C14D C13D H13E 108.3 . .
C14D C13D H13F 108.3 . .
C13D C14D H14E 108.9 . .
C13D C14D H14F 108.9 . .
H14E C14D H14F 107.8 . .
C15D C14D C13D 113.2(14) . .
C15D C14D H14E 108.9 . .
C15D C14D H14F 108.9 . .
P2D C15D H15E 108.3 . .
P2D C15D H15F 108.3 . .
C14D C15D P2D 116.0(11) . .
C14D C15D H15E 108.3 . .
C14D C15D H15F 108.3 . .
H15E C15D H15F 107.4 . .
C17D C16D P2D 122.1(7) . .
C17D C16D C21D 120.0 . .
C21D C16D P2D 117.7(7) . .
C16D C17D H17D 120.0 . .
C16D C17D C18D 120.0 . .
C18D C17D H17D 120.0 . .
C17D C18D H18D 120.0 . .
C19D C18D C17D 120.0 . .
C19D C18D H18D 120.0 . .
C18D C19D H19D 120.0 . .
C18D C19D C20D 120.0 . .
C20D C19D H19D 120.0 . .
C19D C20D H20D 120.0 . .
C21D C20D C19D 120.0 . .
C21D C20D H20D 120.0 . .
C16D C21D H21D 120.0 . .
C20D C21D C16D 120.0 . .
C20D C21D H21D 120.0 . .
N4A Pd1E P1E 172.6(4) . .
N4A Pd1E P2E 90.2(3) . .
N10B Pd1E N4A 84.6(4) 2_666 .
N10B Pd1E P1E 92.4(3) 2_666 .
N10B Pd1E P2E 169.9(4) 2_666 .
P2E Pd1E P1E 93.72(16) . .
C1E P1E Pd1E 107.4(4) . .
C1E P1E C13E 110.8(7) . .
C7E P1E Pd1E 118.8(5) . .
C7E P1E C1E 102.9(7) . .
C7E P1E C13E 106.8(8) . .
C13E P1E Pd1E 109.9(7) . .
C15E P2E Pd1E 115.1(5) . .
C15E P2E C16E 103.9(7) . .
C16E P2E Pd1E 112.7(3) . .
C22E P2E Pd1E 115.3(5) . .
C22E P2E C15E 106.2(6) . .
C22E P2E C16E 102.3(6) . .
C2E C1E P1E 123.8(9) . .
C2E C1E C6E 120.0 . .
C6E C1E P1E 116.1(9) . .
C1E C2E H2E 120.0 . .
C3E C2E C1E 120.0 . .
C3E C2E H2E 120.0 . .
C2E C3E H3E 120.0 . .
C2E C3E C4E 120.0 . .
C4E C3E H3E 120.0 . .
C3E C4E H4E 120.0 . .
C5E C4E C3E 120.0 . .
C5E C4E H4E 120.0 . .
C4E C5E H5E 120.0 . .
C4E C5E C6E 120.0 . .
C6E C5E H5E 120.0 . .
C1E C6E H6E 120.0 . .
C5E C6E C1E 120.0 . .
C5E C6E H6E 120.0 . .
C8E C7E P1E 119.9(10) . .
C8E C7E C12E 120.0 . .
C12E C7E P1E 119.8(10) . .
C7E C8E H8E 120.0 . .
C9E C8E C7E 120.0 . .
C9E C8E H8E 120.0 . .
C8E C9E H9E 120.0 . .
C8E C9E C10E 120.0 . .
C10E C9E H9E 120.0 . .
C9E C10E H10E 120.0 . .
C11E C10E C9E 120.0 . .
C11E C10E H10E 120.0 . .
C10E C11E H11E 120.0 . .
C10E C11E C12E 120.0 . .
C12E C11E H11E 120.0 . .
C7E C12E H12E 120.0 . .
C11E C12E C7E 120.0 . .
C11E C12E H12E 120.0 . .
P1E C13E H13G 109.1 . .
P1E C13E H13H 109.1 . .
H13G C13E H13H 107.8 . .
C14E C13E P1E 112.5(11) . .
C14E C13E H13G 109.1 . .
C14E C13E H13H 109.1 . .
C13E C14E H14G 108.3 . .
C13E C14E H14H 108.3 . .
C13E C14E C15E 115.8(13) . .
H14G C14E H14H 107.4 . .
C15E C14E H14G 108.3 . .
C15E C14E H14H 108.3 . .
P2E C15E H15G 108.8 . .
P2E C15E H15H 108.8 . .
C14E C15E P2E 113.8(12) . .
C14E C15E H15G 108.8 . .
C14E C15E H15H 108.8 . .
H15G C15E H15H 107.7 . .
C17E C16E P2E 121.2(7) . .
C17E C16E C21E 120.0 . .
C21E C16E P2E 118.4(7) . .
C16E C17E H17E 120.0 . .
C18E C17E C16E 120.0 . .
C18E C17E H17E 120.0 . .
C17E C18E H18E 120.0 . .
C17E C18E C19E 120.0 . .
C19E C18E H18E 120.0 . .
C18E C19E H19E 120.0 . .
C18E C19E C20E 120.0 . .
C20E C19E H19E 120.0 . .
C19E C20E H20E 120.0 . .
C19E C20E C21E 120.0 . .
C21E C20E H20E 120.0 . .
C16E C21E H21E 120.0 . .
C20E C21E C16E 120.0 . .
C20E C21E H21E 120.0 . .
C23E C22E P2E 119.3(9) . .
C23E C22E C27E 120.0 . .
C27E C22E P2E 120.7(9) . .
C22E C23E H23E 120.0 . .
C24E C23E C22E 120.0 . .
C24E C23E H23E 120.0 . .
C23E C24E H24E 120.0 . .
C23E C24E C25E 120.0 . .
C25E C24E H24E 120.0 . .
C24E C25E H25E 120.0 . .
C26E C25E C24E 120.0 . .
C26E C25E H25E 120.0 . .
C25E C26E H26E 120.0 . .
C25E C26E C27E 120.0 . .
C27E C26E H26E 120.0 . .
C22E C27E H27E 120.0 . .
C26E C27E C22E 120.0 . .
C26E C27E H27E 120.0 . .
N9A Pd1F P1F 174.4(3) 2_666 .
N9A Pd1F P2F 93.2(3) 2_666 .
N5B Pd1F N9A 82.7(3) . 2_666
N5B Pd1F P1F 91.7(3) . .
N5B Pd1F P2F 173.1(3) . .
P2F Pd1F P1F 92.46(16) . .
C1F P1F Pd1F 111.9(4) . .
C7F P1F Pd1F 115.8(5) . .
C7F P1F C1F 97.5(7) . .
C13F P1F Pd1F 113.0(7) . .
C13F P1F C1F 112.3(8) . .
C13F P1F C7F 105.3(7) . .
C15F P2F Pd1F 115.0(6) . .
C15F P2F C16F 107.1(5) . .
C16F P2F Pd1F 113.1(4) . .
C22F P2F Pd1F 108.3(3) . .
C22F P2F C15F 106.2(7) . .
C22F P2F C16F 106.6(5) . .
C2F C1F P1F 113.1(11) . .
C2F C1F C6F 120.0 . .
C6F C1F P1F 126.5(11) . .
C1F C2F H2F 120.0 . .
C3F C2F C1F 120.0 . .
C3F C2F H2F 120.0 . .
C2F C3F H3F 120.0 . .
C2F C3F C4F 120.0 . .
C4F C3F H3F 120.0 . .
C3F C4F H4F 120.0 . .
C5F C4F C3F 120.0 . .
C5F C4F H4F 120.0 . .
C4F C5F H5F 120.0 . .
C6F C5F C4F 120.0 . .
C6F C5F H5F 120.0 . .
C1F C6F H6F 120.0 . .
C5F C6F C1F 120.0 . .
C5F C6F H6F 120.0 . .
C8F C7F P1F 120.5(7) . .
C8F C7F C12F 120.0 . .
C12F C7F P1F 119.5(7) . .
C7F C8F H8F 120.0 . .
C9F C8F C7F 120.0 . .
C9F C8F H8F 120.0 . .
C8F C9F H9F 120.0 . .
C8F C9F C10F 120.0 . .
C10F C9F H9F 120.0 . .
C9F C10F H10F 120.0 . .
C11F C10F C9F 120.0 . .
C11F C10F H10F 120.0 . .
C10F C11F H11F 120.0 . .
C12F C11F C10F 120.0 . .
C12F C11F H11F 120.0 . .
C7F C12F H12F 120.0 . .
C11F C12F C7F 120.0 . .
C11F C12F H12F 120.0 . .
P1F C13F H13I 107.4 . .
P1F C13F H13J 107.4 . .
H13I C13F H13J 106.9 . .
C14F C13F P1F 119.6(12) . .
C14F C13F H13I 107.4 . .
C14F C13F H13J 107.4 . .
C13F C14F H14I 108.6 . .
C13F C14F H14J 108.6 . .
H14I C14F H14J 107.6 . .
C15F C14F C13F 114.7(13) . .
C15F C14F H14I 108.6 . .
C15F C14F H14J 108.6 . .
P2F C15F H15I 108.0 . .
P2F C15F H15J 108.0 . .
C14F C15F P2F 117.3(11) . .
C14F C15F H15I 108.0 . .
C14F C15F H15J 108.0 . .
H15I C15F H15J 107.2 . .
C17F C16F P2F 119.6(7) . .
C17F C16F C21F 120.0 . .
C21F C16F P2F 120.2(7) . .
C16F C17F H17F 120.0 . .
C16F C17F C18F 120.0 . .
C18F C17F H17F 120.0 . .
C17F C18F H18F 120.0 . .
C17F C18F C19F 120.0 . .
C19F C18F H18F 120.0 . .
C18F C19F H19F 120.0 . .
C20F C19F C18F 120.0 . .
C20F C19F H19F 120.0 . .
C19F C20F H20F 120.0 . .
C19F C20F C21F 120.0 . .
C21F C20F H20F 120.0 . .
C16F C21F H21F 120.0 . .
C20F C21F C16F 120.0 . .
C20F C21F H21F 120.0 . .
C23F C22F P2F 120.4(7) . .
C23F C22F C27F 120.0 . .
C27F C22F P2F 118.7(7) . .
C22F C23F H23F 120.0 . .
C24F C23F C22F 120.0 . .
C24F C23F H23F 120.0 . .
C23F C24F H24F 120.0 . .
C25F C24F C23F 120.0 . .
C25F C24F H24F 120.0 . .
C24F C25F H25F 120.0 . .
C24F C25F C26F 120.0 . .
C26F C25F H25F 120.0 . .
C25F C26F H26F 120.0 . .
C27F C26F C25F 120.0 . .
C27F C26F H26F 120.0 . .
C22F C27F H27F 120.0 . .
C26F C27F C22F 120.0 . .
C26F C27F H27F 120.0 . .
F1A P1 F2A 90.6(5) . .
F1A P1 F3A 87.9(5) . .
F2A P1 F3A 178.1(6) . .
F4A P1 F1A 179.0(6) . .
F4A P1 F2A 90.4(5) . .
F4A P1 F3A 91.2(5) . .
F5A P1 F1A 89.3(5) . .
F5A P1 F2A 91.2(5) . .
F5A P1 F3A 89.9(5) . .
F5A P1 F4A 90.6(5) . .
F6A P1 F1A 89.4(5) . .
F6A P1 F2A 90.4(5) . .
F6A P1 F3A 88.5(5) . .
F6A P1 F4A 90.7(5) . .
F6A P1 F5A 177.9(6) . .
F1B P2 F1B 180.0 2_656 .
F2B P2 F1B 89.3(4) . .
F2B P2 F1B 90.7(4) . 2_656
F2B P2 F1B 89.3(4) 2_656 2_656
F2B P2 F1B 90.7(4) 2_656 .
F2B P2 F2B 180.0 2_656 .
F2B P2 F3B 89.9(6) . .
F2B P2 F3B 90.1(6) 2_656 .
F2B P2 F3B 89.9(6) 2_656 2_656
F2B P2 F3B 90.1(6) . 2_656
F3B P2 F1B 89.6(4) 2_656 .
F3B P2 F1B 90.4(4) . .
F3B P2 F1B 89.6(4) . 2_656
F3B P2 F1B 90.4(4) 2_656 2_656
F3B P2 F3B 180.0(5) 2_656 .
F1C P3 F4C 88.8(6) . .
F1C P3 F5C 91.8(6) . .
F1C P3 F6C 171.6(8) . .
F2C P3 F1C 92.8(6) . .
F2C P3 F4C 87.0(7) . .
F2C P3 F5C 173.2(8) . .
F2C P3 F6C 90.0(7) . .
F3C P3 F1C 91.1(7) . .
F3C P3 F2C 96.1(8) . .
F3C P3 F4C 176.9(8) . .
F3C P3 F5C 88.8(7) . .
F3C P3 F6C 96.5(8) . .
F5C P3 F4C 88.1(7) . .
F6C P3 F4C 83.4(7) . .
F6C P3 F5C 84.7(7) . .
F1D P4 F2D 88.8(8) . .
F1D P4 F3D 175.3(9) . .
F1D P4 F4D 93.3(8) . .
F1D P4 F5D 88.5(8) . .
F1D P4 F6D 89.6(10) . .
F2D P4 F3D 89.2(8) . .
F2D P4 F4D 85.5(10) . .
F2D P4 F5D 175.7(10) . .
F2D P4 F6D 96.5(11) . .
F4D P4 F3D 90.8(9) . .
F4D P4 F5D 91.4(9) . .
F5D P4 F3D 93.8(8) . .
F6D P4 F3D 86.5(10) . .
F6D P4 F4D 176.6(11) . .
F6D P4 F5D 86.8(11) . .
F1F P6 F4F 95.1(7) . .
F2F P6 F1F 86.1(6) . .
F2F P6 F4F 88.7(8) . .
F3F P6 F1F 91.9(6) . .
F3F P6 F2F 172.6(9) . .
F3F P6 F4F 84.3(7) . .
F5F P6 F1F 86.8(6) . .
F5F P6 F2F 93.0(8) . .
F5F P6 F3F 94.0(8) . .
F5F P6 F4F 177.6(9) . .
F6F P6 F1F 179.4(10) . .
F6F P6 F2F 93.3(7) . .
F6F P6 F3F 88.7(7) . .
F6F P6 F4F 84.8(7) . .
F6F P6 F5F 93.4(8) . .
F2E P5 F1E 90.0(7) . .
F2E P5 F3E 91.2(7) . .
F2E P5 F4E 94.5(8) . .
F2E P5 F5E 86.5(7) . .
F2E P5 F6E 178.7(9) . .
F3E P5 F1E 178.7(8) . .
F4E P5 F1E 90.8(7) . .
F4E P5 F3E 88.7(7) . .
F4E P5 F5E 178.8(8) . .
F5E P5 F1E 88.5(6) . .
F5E P5 F3E 91.9(7) . .
F6E P5 F1E 89.1(7) . .
F6E P5 F3E 89.7(7) . .
F6E P5 F4E 86.4(8) . .
F6E P5 F5E 92.6(8) . .
F1H P8 F2H 92.3(9) . .
F1H P8 F3H 88.4(9) . .
F1H P8 F4H 92.5(9) . .
F1H P8 F5H 93.0(9) . .
F1H P8 F6H 177.8(11) . .
F2H P8 F4H 174.1(11) . .
F3H P8 F2H 89.6(10) . .
F3H P8 F4H 93.9(9) . .
F5H P8 F2H 85.4(10) . .
F5H P8 F3H 174.9(13) . .
F5H P8 F4H 90.9(10) . .
F5H P8 F6H 89.1(10) . .
F6H P8 F2H 88.7(9) . .
F6H P8 F3H 89.6(9) . .
F6H P8 F4H 86.6(9) . .
F1I P9 F3I 173.4(8) . .
F1I P9 F4I 85.3(7) . .
F2I P9 F1I 90.9(7) . .
F2I P9 F3I 88.3(7) . .
F2I P9 F4I 84.9(7) . .
F3I P9 F4I 88.2(7) . .
F5I P9 F1I 93.5(7) . .
F5I P9 F2I 165.8(8) . .
F5I P9 F3I 85.8(7) . .
F5I P9 F4I 82.1(7) . .
F6I P9 F1I 97.5(8) . .
F6I P9 F2I 99.3(8) . .
F6I P9 F3I 89.1(8) . .
F6I P9 F4I 174.9(9) . .
F6I P9 F5I 93.5(8) . .
F2J P10 F1J 89.1(8) . .
F3J P10 F1J 85.1(8) . .
F3J P10 F2J 85.0(10) . .
F4J P10 F1J 88.7(8) . .
F4J P10 F2J 176.8(10) . .
F4J P10 F3J 92.4(10) . .
F4J P10 F5J 91.3(10) . .
F5J P10 F1J 86.5(9) . .
F5J P10 F2J 91.0(10) . .
F5J P10 F3J 170.7(11) . .
F6J P10 F1J 175.5(11) . .
F6J P10 F2J 88.8(10) . .
F6J P10 F3J 90.7(10) . .
F6J P10 F4J 93.1(10) . .
F6J P10 F5J 97.6(10) . .
F1K P11 F3K 88.0(11) . .
F1K P11 F5K 173.9(13) . .
F2K P11 F1K 88.3(11) . .
F2K P11 F3K 89.7(11) . .
F2K P11 F5K 87.2(12) . .
F4K P11 F1K 91.5(12) . .
F4K P11 F2K 178.3(14) . .
F4K P11 F3K 88.6(11) . .
F4K P11 F5K 92.8(12) . .
F4K P11 F6K 91.3(11) . .
F5K P11 F3K 87.8(12) . .
F6K P11 F1K 94.4(12) . .
F6K P11 F2K 90.4(11) . .
F6K P11 F3K 177.6(14) . .
F6K P11 F5K 89.8(12) . .
F2L P12 F1L 83.0(9) . .
F2L P12 F3L 91.9(9) . .
F2L P12 F4L 93.7(10) . .
F2L P12 F5L 90.6(10) . .
F2L P12 F6L 171.8(12) . .
F3L P12 F1L 174.9(11) . .
F3L P12 F4L 88.6(10) . .
F3L P12 F5L 93.9(10) . .
F4L P12 F1L 92.3(9) . .
F4L P12 F5L 174.9(12) . .
F5L P12 F1L 85.5(10) . .
F6L P12 F1L 89.2(10) . .
F6L P12 F3L 95.9(11) . .
F6L P12 F4L 89.2(10) . .
F6L P12 F5L 86.1(10) . .
F2M P13 F1M 96.0(11) . .
F2M P13 F3M 86.7(10) . .
F2M P13 F5M 86.7(10) . .
F2M P13 F6M 177.7(13) . .
F3M P13 F1M 176.3(12) . .
F4M P13 F1M 87.8(11) . .
F4M P13 F2M 91.2(10) . .
F4M P13 F3M 94.8(10) . .
F4M P13 F5M 177.7(13) . .
F4M P13 F6M 90.7(11) . .
F5M P13 F1M 91.4(10) . .
F5M P13 F3M 86.2(11) . .
F6M P13 F1M 85.5(11) . .
F6M P13 F3M 91.9(11) . .
F6M P13 F5M 91.4(11) . .
F1G P7 F2G 96.4(7) . .
F1G P7 F4G 175.2(8) . .
F1G P7 F5G 81.2(8) . .
F1G P7 F6G 85.6(8) . .
F3G P7 F1G 98.3(7) . .
F3G P7 F2G 84.7(7) . .
F3G P7 F4G 86.4(8) . .
F3G P7 F5G 96.7(8) . .
F3G P7 F6G 175.9(8) . .
F4G P7 F2G 82.7(8) . .
F5G P7 F2G 177.4(9) . .
F5G P7 F4G 99.6(8) . .
F6G P7 F2G 96.3(8) . .
F6G P7 F4G 89.8(8) . .
F6G P7 F5G 82.5(9) . .
O12 N18 O15 122(2) . .
O12 N18 C33 119(2) . .
O15 N18 C33 118(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C22D C23D 1.3900 .
C22D C27D 1.3900 .
C22D P2D 1.737(10) .
C23D H23D 0.9500 .
C23D C24D 1.3900 .
C24D H24D 0.9500 .
C24D C25D 1.3900 .
C25D H25D 0.9500 .
C25D C26D 1.3900 .
C26D H26D 0.9500 .
C26D C27D 1.3900 .
C27D H27D 0.9500 .
Ru1A N1A 2.026(9) .
Ru1A N2A 1.948(10) .
Ru1A N3A 2.071(9) .
Ru1A N6A 2.040(9) .
Ru1A N7A 1.939(9) .
Ru1A N8A 2.059(11) .
N1A C1A 1.329(14) .
N1A C5A 1.418(14) .
N2A C6A 1.338(13) .
N2A C10A 1.357(14) .
N3A C11A 1.381(14) .
N3A C15A 1.375(14) .
N4A C22A 1.263(14) .
N4A C26A 1.333(16) .
N4A Pd1E 2.116(11) .
N5A C27A 1.363(19) .
N5A C31A 1.324(15) .
N5A Pd1D 2.095(11) .
N6A C32A 1.356(14) .
N6A C36A 1.364(13) .
N7A C37A 1.338(14) .
N7A C41A 1.374(13) .
N8A C42A 1.404(14) .
N8A C46A 1.398(16) .
N9A C53A 1.395(13) .
N9A C57A 1.306(12) .
N9A Pd1F 2.105(9) 2_666
N10A C58A 1.260(12) .
N10A C62A 1.327(13) .
N10A Pd1C 2.136(9) .
C1A H1A 0.9500 .
C1A C2A 1.329(16) .
C2A H2A 0.9500 .
C2A C3A 1.403(17) .
C3A H3A 0.9500 .
C3A C4A 1.406(17) .
C4A H4A 0.9500 .
C4A C5A 1.404(15) .
C5A C6A 1.489(16) .
C6A C7A 1.416(15) .
C7A H7A 0.9500 .
C7A C8A 1.374(16) .
C8A C9A 1.384(16) .
C8A C16A 1.403(17) .
C9A H9A 0.9500 .
C9A C10A 1.346(16) .
C10A C11A 1.510(16) .
C11A C12A 1.424(15) .
C12A H12A 0.9500 .
C12A C13A 1.366(15) .
C13A H13A 0.9500 .
C13A C14A 1.421(16) .
C14A H14A 0.9500 .
C14A C15A 1.364(16) .
C15A H15A 0.9500 .
C16A C17A 1.404(16) .
C16A C21A 1.322(16) .
C17A H17A 0.9500 .
C17A C18A 1.357(16) .
C18A C19A 1.399(17) .
C18A C24A 1.521(18) .
C19A H19A 0.9500 .
C19A C20A 1.399(16) .
C20A C21A 1.441(17) .
C20A C29A 1.493(17) .
C21A H21A 0.9500 .
C22A H22A 0.9500 .
C22A C23A 1.373(15) .
C23A H23A 0.9500 .
C23A C24A 1.371(17) .
C24A C25A 1.402(16) .
C25A H25A 0.9500 .
C25A C26A 1.340(17) .
C26A H26A 0.9500 .
C27A H27A 0.9500 .
C27A C28A 1.379(18) .
C28A H28A 0.9500 .
C28A C29A 1.470(18) .
C29A C30A 1.350(17) .
C30A H30A 0.9500 .
C30A C31A 1.363(17) .
C31A H31A 0.9500 .
C32A H32A 0.9500 .
C32A C33A 1.370(16) .
C33A H33A 0.9500 .
C33A C34A 1.380(16) .
C34A H34A 0.9500 .
C34A C35A 1.386(16) .
C35A H35A 0.9500 .
C35A C36A 1.306(16) .
C36A C37A 1.515(16) .
C37A C38A 1.390(14) .
C38A H38A 0.9500 .
C38A C39A 1.416(15) .
C39A C40A 1.356(15) .
C39A C47A 1.505(16) .
C40A H40A 0.9500 .
C40A C41A 1.391(15) .
C41A C42A 1.484(17) .
C42A C43A 1.307(15) .
C43A H43A 0.9500 .
C43A C44A 1.383(17) .
C44A H44A 0.9500 .
C44A C45A 1.328(18) .
C45A H45A 0.9500 .
C45A C46A 1.421(19) .
C46A H46A 0.9500 .
C47A C48A 1.393(16) .
C47A C52A 1.394(15) .
C48A H48A 0.9500 .
C48A C49A 1.434(15) .
C49A C50A 1.386(15) .
C49A C55A 1.439(15) .
C50A H50A 0.9500 .
C50A C51A 1.411(15) .
C51A C52A 1.389(15) .
C51A C60A 1.466(15) .
C52A H52A 0.9500 .
C53A H53A 0.9500 .
C53A C54A 1.367(14) .
C54A H54A 0.9500 .
C54A C55A 1.397(15) .
C55A C56A 1.408(15) .
C56A H56A 0.9500 .
C56A C57A 1.383(14) .
C57A H57A 0.9500 .
C58A H58A 0.9500 .
C58A C59A 1.332(15) .
C59A H59A 0.9500 .
C59A C60A 1.373(14) .
C60A C61A 1.301(15) .
C61A H61A 0.9500 .
C61A C62A 1.402(16) .
C62A H62A 0.9500 .
Ru1B N1B 2.042(10) .
Ru1B N2B 1.988(8) .
Ru1B N3B 2.072(9) .
Ru1B N6B 2.065(9) .
Ru1B N7B 1.984(8) .
Ru1B N8B 2.071(9) .
N1B C1B 1.338(14) .
N1B C5B 1.400(13) .
N2B C6B 1.378(13) .
N2B C10B 1.356(13) .
N3B C11B 1.394(14) .
N3B C15B 1.323(13) .
N4B C22B 1.341(13) .
N4B C26B 1.396(14) .
N4B Pd1D 2.067(9) .
N5B C27B 1.292(15) .
N5B C31B 1.297(14) .
N5B Pd1F 2.084(10) .
N6B C32B 1.314(13) .
N6B C36B 1.363(12) .
N7B C37B 1.357(13) .
N7B C41B 1.340(13) .
N8B C42B 1.411(14) .
N8B C46B 1.358(14) .
N9B C53B 1.297(13) .
N9B C57B 1.348(13) .
N9B Pd1C 2.099(9) .
N10B C58B 1.388(19) .
N10B C62B 1.280(17) .
N10B Pd1E 2.111(11) 2_666
C1B H1B 0.9500 .
C1B C2B 1.375(16) .
C2B H2B 0.9500 .
C2B C3B 1.389(17) .
C3B H3B 0.9500 .
C3B C4B 1.396(16) .
C4B H4B 0.9500 .
C4B C5B 1.383(15) .
C5B C6B 1.470(16) .
C6B C7B 1.324(14) .
C7B H7B 0.9500 .
C7B C8B 1.361(15) .
C8B C9B 1.397(15) .
C8B C16B 1.448(16) .
C9B H9B 0.9500 .
C9B C10B 1.333(15) .
C10B C11B 1.480(16) .
C11B C12B 1.395(16) .
C12B H12B 0.9500 .
C12B C13B 1.402(17) .
C13B H13B 0.9500 .
C13B C14B 1.349(19) .
C14B H14B 0.9500 .
C14B C15B 1.409(18) .
C15B H15B 0.9500 .
C16B C17B 1.398(16) .
C16B C21B 1.382(16) .
C17B H17B 0.9500 .
C17B C18B 1.418(16) .
C18B C19B 1.412(16) .
C18B C24B 1.414(16) .
C19B H19B 0.9500 .
C19B C20B 1.437(16) .
C20B C21B 1.432(15) .
C20B C29B 1.492(16) .
C21B H21B 0.9500 .
C22B H22B 0.9500 .
C22B C23B 1.378(15) .
C23B H23B 0.9500 .
C23B C24B 1.330(15) .
C24B C25B 1.417(16) .
C25B H25B 0.9500 .
C25B C26B 1.292(15) .
C26B H26B 0.9500 .
C27B H27B 0.9500 .
C27B C28B 1.418(17) .
C28B H28B 0.9500 .
C28B C29B 1.401(16) .
C29B C30B 1.400(17) .
C30B H30B 0.9500 .
C30B C31B 1.345(15) .
C31B H31B 0.9500 .
C32B H32B 0.9500 .
C32B C33B 1.364(15) .
C33B H33B 0.9500 .
C33B C34B 1.403(16) .
C34B H34B 0.9500 .
C34B C35B 1.408(16) .
C35B H35B 0.9500 .
C35B C36B 1.320(14) .
C36B C37B 1.462(15) .
C37B C38B 1.367(15) .
C38B H38B 0.9500 .
C38B C39B 1.434(16) .
C39B C40B 1.408(16) .
C39B C47B 1.468(16) .
C40B H40B 0.9500 .
C40B C41B 1.367(15) .
C41B C42B 1.431(16) .
C42B C43B 1.390(17) .
C43B H43B 0.9500 .
C43B C44B 1.401(18) .
C44B H44B 0.9500 .
C44B C45B 1.408(19) .
C45B H45B 0.9500 .
C45B C46B 1.396(17) .
C46B H46B 0.9500 .
C47B C48B 1.386(15) .
C47B C52B 1.461(16) .
C48B H48B 0.9500 .
C48B C49B 1.381(15) .
C49B C50B 1.398(15) .
C49B C55B 1.499(16) .
C50B H50B 0.9500 .
C50B C51B 1.340(16) .
C51B C52B 1.328(16) .
C51B C60B 1.468(17) .
C52B H52B 0.9500 .
C53B H53B 0.9500 .
C53B C54B 1.380(15) .
C54B H54B 0.9500 .
C54B C55B 1.406(15) .
C55B C56B 1.394(15) .
C56B H56B 0.9500 .
C56B C57B 1.315(15) .
C57B H57B 0.9500 .
C58B H58B 0.9500 .
C58B C59B 1.388(18) .
C59B H59B 0.9500 .
C59B C60B 1.435(19) .
C60B C61B 1.397(19) .
C61B H61B 0.9500 .
C61B C62B 1.329(17) .
C62B H62B 0.9500 .
Pd1C P1C 2.269(4) .
Pd1C P2C 2.268(3) .
P1C C1C 1.791(8) .
P1C C7C 1.793(8) .
P1C C13C 1.805(12) .
P2C C15C 1.812(14) .
P2C C16C 1.814(7) .
P2C C22C 1.863(8) .
C1C C2C 1.3900 .
C1C C6C 1.3900 .
C2C H2C 0.9500 .
C2C C3C 1.3900 .
C3C H3C 0.9500 .
C3C C4C 1.3900 .
C4C H4C 0.9500 .
C4C C5C 1.3900 .
C5C H5C 0.9500 .
C5C C6C 1.3900 .
C6C H6C 0.9500 .
C7C C8C 1.3900 .
C7C C12C 1.3900 .
C8C H8C 0.9500 .
C8C C9C 1.3900 .
C9C H9C 0.9500 .
C9C C10C 1.3900 .
C10C H10C 0.9500 .
C10C C11C 1.3900 .
C11C H11C 0.9500 .
C11C C12C 1.3900 .
C12C H12C 0.9500 .
C13C H13C 0.9900 .
C13C H13D 0.9900 .
C13C C14C 1.553(18) .
C14C H14C 0.9900 .
C14C H14D 0.9900 .
C14C C15C 1.546(17) .
C15C H15C 0.9900 .
C15C H15D 0.9900 .
C16C C17C 1.3900 .
C16C C21C 1.3900 .
C17C H17C 0.9500 .
C17C C18C 1.3900 .
C18C H18C 0.9500 .
C18C C19C 1.3900 .
C19C H19C 0.9500 .
C19C C20C 1.3900 .
C20C H20C 0.9500 .
C20C C21C 1.3900 .
C21C H21C 0.9500 .
C22C C23C 1.3900 .
C22C C27C 1.3900 .
C23C H23C 0.9500 .
C23C C24C 1.3900 .
C24C H24C 0.9500 .
C24C C25C 1.3900 .
C25C H25C 0.9500 .
C25C C26C 1.3900 .
C26C H26C 0.9500 .
C26C C27C 1.3900 .
C27C H27C 0.9500 .
Pd1D P1D 2.252(4) .
Pd1D P2D 2.255(4) .
P1D C1D 1.749(9) .
P1D C7D 1.809(8) .
P1D C13D 1.804(15) .
P2D C15D 1.795(14) .
P2D C16D 1.850(8) .
C1D C2D 1.3900 .
C1D C6D 1.3900 .
C2D H2D 0.9500 .
C2D C3D 1.3900 .
C3D H3D 0.9500 .
C3D C4D 1.3900 .
C4D H4D 0.9500 .
C4D C5D 1.3900 .
C5D H5D 0.9500 .
C5D C6D 1.3900 .
C6D H6D 0.9500 .
C7D C8D 1.3900 .
C7D C12D 1.3900 .
C8D H8D 0.9500 .
C8D C9D 1.3900 .
C9D H9D 0.9500 .
C9D C10D 1.3900 .
C10D H10D 0.9500 .
C10D C11D 1.3900 .
C11D H11D 0.9500 .
C11D C12D 1.3900 .
C12D H12D 0.9500 .
C13D H13E 0.9900 .
C13D H13F 0.9900 .
C13D C14D 1.60(2) .
C14D H14E 0.9900 .
C14D H14F 0.9900 .
C14D C15D 1.502(19) .
C15D H15E 0.9900 .
C15D H15F 0.9900 .
C16D C17D 1.3900 .
C16D C21D 1.3900 .
C17D H17D 0.9500 .
C17D C18D 1.3900 .
C18D H18D 0.9500 .
C18D C19D 1.3900 .
C19D H19D 0.9500 .
C19D C20D 1.3900 .
C20D H20D 0.9500 .
C20D C21D 1.3900 .
C21D H21D 0.9500 .
Pd1E N10B 2.111(11) 2_666
Pd1E P1E 2.347(5) .
Pd1E P2E 2.286(4) .
P1E C1E 1.880(10) .
P1E C7E 1.807(11) .
P1E C13E 1.897(17) .
P2E C15E 1.805(13) .
P2E C16E 1.840(10) .
P2E C22E 1.751(10) .
C1E C2E 1.3900 .
C1E C6E 1.3900 .
C2E H2E 0.9500 .
C2E C3E 1.3900 .
C3E H3E 0.9500 .
C3E C4E 1.3900 .
C4E H4E 0.9500 .
C4E C5E 1.3900 .
C5E H5E 0.9500 .
C5E C6E 1.3900 .
C6E H6E 0.9500 .
C7E C8E 1.3900 .
C7E C12E 1.3900 .
C8E H8E 0.9500 .
C8E C9E 1.3900 .
C9E H9E 0.9500 .
C9E C10E 1.3900 .
C10E H10E 0.9500 .
C10E C11E 1.3900 .
C11E H11E 0.9500 .
C11E C12E 1.3900 .
C12E H12E 0.9500 .
C13E H13G 0.9900 .
C13E H13H 0.9900 .
C13E C14E 1.580(19) .
C14E H14G 0.9900 .
C14E H14H 0.9900 .
C14E C15E 1.59(2) .
C15E H15G 0.9900 .
C15E H15H 0.9900 .
C16E C17E 1.3900 .
C16E C21E 1.3900 .
C17E H17E 0.9500 .
C17E C18E 1.3900 .
C18E H18E 0.9500 .
C18E C19E 1.3900 .
C19E H19E 0.9500 .
C19E C20E 1.3900 .
C20E H20E 0.9500 .
C20E C21E 1.3900 .
C21E H21E 0.9500 .
C22E C23E 1.3900 .
C22E C27E 1.3900 .
C23E H23E 0.9500 .
C23E C24E 1.3900 .
C24E H24E 0.9500 .
C24E C25E 1.3900 .
C25E H25E 0.9500 .
C25E C26E 1.3900 .
C26E H26E 0.9500 .
C26E C27E 1.3900 .
C27E H27E 0.9500 .
Pd1F N9A 2.105(9) 2_666
Pd1F P1F 2.276(4) .
Pd1F P2F 2.266(4) .
P1F C1F 1.828(11) .
P1F C7F 1.795(10) .
P1F C13F 1.743(17) .
P2F C15F 1.803(13) .
P2F C16F 1.810(8) .
P2F C22F 1.797(8) .
C1F C2F 1.3900 .
C1F C6F 1.3900 .
C2F H2F 0.9500 .
C2F C3F 1.3900 .
C3F H3F 0.9500 .
C3F C4F 1.3900 .
C4F H4F 0.9500 .
C4F C5F 1.3900 .
C5F H5F 0.9500 .
C5F C6F 1.3900 .
C6F H6F 0.9500 .
C7F C8F 1.3900 .
C7F C12F 1.3900 .
C8F H8F 0.9500 .
C8F C9F 1.3900 .
C9F H9F 0.9500 .
C9F C10F 1.3900 .
C10F H10F 0.9500 .
C10F C11F 1.3900 .
C11F H11F 0.9500 .
C11F C12F 1.3900 .
C12F H12F 0.9500 .
C13F H13I 0.9900 .
C13F H13J 0.9900 .
C13F C14F 1.52(2) .
C14F H14I 0.9900 .
C14F H14J 0.9900 .
C14F C15F 1.51(2) .
C15F H15I 0.9900 .
C15F H15J 0.9900 .
C16F C17F 1.3900 .
C16F C21F 1.3900 .
C17F H17F 0.9500 .
C17F C18F 1.3900 .
C18F H18F 0.9500 .
C18F C19F 1.3900 .
C19F H19F 0.9500 .
C19F C20F 1.3900 .
C20F H20F 0.9500 .
C20F C21F 1.3900 .
C21F H21F 0.9500 .
C22F C23F 1.3900 .
C22F C27F 1.3900 .
C23F H23F 0.9500 .
C23F C24F 1.3900 .
C24F H24F 0.9500 .
C24F C25F 1.3900 .
C25F H25F 0.9500 .
C25F C26F 1.3900 .
C26F H26F 0.9500 .
C26F C27F 1.3900 .
C27F H27F 0.9500 .
P1 F1A 1.618(7) .
P1 F2A 1.633(8) .
P1 F3A 1.642(8) .
P1 F4A 1.615(8) .
P1 F5A 1.597(8) .
P1 F6A 1.595(8) .
P2 F1B 1.583(6) .
P2 F1B 1.583(6) 2_656
P2 F2B 1.521(8) 2_656
P2 F2B 1.521(8) .
P2 F3B 1.540(9) 2_656
P2 F3B 1.540(9) .
P3 F1C 1.531(8) .
P3 F2C 1.515(9) .
P3 F3C 1.500(10) .
P3 F4C 1.603(11) .
P3 F5C 1.546(10) .
P3 F6C 1.540(10) .
P4 F1D 1.513(11) .
P4 F2D 1.518(13) .
P4 F3D 1.550(12) .
P4 F4D 1.529(12) .
P4 F5D 1.548(13) .
P4 F6D 1.52(2) .
P6 F1F 1.552(8) .
P6 F2F 1.540(10) .
P6 F3F 1.540(10) .
P6 F4F 1.559(11) .
P6 F5F 1.536(11) .
P6 F6F 1.535(10) .
P5 F1E 1.612(9) .
P5 F2E 1.583(9) .
P5 F3E 1.611(9) .
P5 F4E 1.591(10) .
P5 F5E 1.606(11) .
P5 F6E 1.584(9) .
P8 F1H 1.551(12) .
P8 F2H 1.581(13) .
P8 F3H 1.573(13) .
P8 F4H 1.587(13) .
P8 F5H 1.559(13) .
P8 F6H 1.568(13) .
P9 F1I 1.531(10) .
P9 F2I 1.512(11) .
P9 F3I 1.560(11) .
P9 F4I 1.584(11) .
P9 F5I 1.505(11) .
P9 F6I 1.460(11) .
P10 F1J 1.529(12) .
P10 F2J 1.504(13) .
P10 F3J 1.489(13) .
P10 F4J 1.465(13) .
P10 F5J 1.469(13) .
P10 F6J 1.461(13) .
P11 F1K 1.572(18) .
P11 F2K 1.571(18) .
P11 F3K 1.586(18) .
P11 F4K 1.552(18) .
P11 F5K 1.579(18) .
P11 F6K 1.566(18) .
P12 F1L 1.549(13) .
P12 F2L 1.466(13) .
P12 F3L 1.493(13) .
P12 F4L 1.501(13) .
P12 F5L 1.520(14) .
P12 F6L 1.489(14) .
P13 F1M 1.626(15) .
P13 F2M 1.580(15) .
P13 F3M 1.607(15) .
P13 F4M 1.574(15) .
P13 F5M 1.590(15) .
P13 F6M 1.587(15) .
P7 F1G 1.636(13) .
P7 F2G 1.797(15) .
P7 F3G 1.614(12) .
P7 F4G 1.723(15) .
P7 F5G 1.701(17) .
P7 F6G 1.646(14) .
O12 N18 1.14(2) .
O15 N18 1.26(2) .
N18 C33 1.32(3) .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
C22D C23D C24D C25D 0.0 .
C22D P2D C15D C14D -66.2(13) .
C22D P2D C16D C17D -151.8(7) .
C22D P2D C16D C21D 33.6(8) .
C23D C22D C27D C26D 0.0 .
C23D C22D P2D Pd1D 36.5(8) .
C23D C22D P2D C15D 164.8(8) .
C23D C22D P2D C16D -85.4(8) .
C23D C24D C25D C26D 0.0 .
C24D C25D C26D C27D 0.0 .
C25D C26D C27D C22D 0.0 .
C27D C22D C23D C24D 0.0 .
C27D C22D P2D Pd1D -139.7(7) .
C27D C22D P2D C15D -11.4(9) .
C27D C22D P2D C16D 98.4(8) .
Ru1A N1A C1A C2A 177.4(10) .
Ru1A N1A C5A C4A -176.9(9) .
Ru1A N1A C5A C6A 2.9(12) .
Ru1A N2A C6A C5A 15.0(13) .
Ru1A N2A C6A C7A -169.3(9) .
Ru1A N2A C10A C9A 168.6(9) .
Ru1A N2A C10A C11A -12.6(13) .
Ru1A N3A C11A C10A 0.4(13) .
Ru1A N3A C11A C12A 177.7(9) .
Ru1A N3A C15A C14A -176.7(9) .
Ru1A N6A C32A C33A 175.4(10) .
Ru1A N6A C36A C35A -174.8(11) .
Ru1A N6A C36A C37A 3.3(12) .
Ru1A N7A C37A C36A 3.5(13) .
Ru1A N7A C37A C38A -177.1(8) .
Ru1A N7A C41A C40A 179.3(8) .
Ru1A N7A C41A C42A 0.4(13) .
Ru1A N8A C42A C41A 5.4(12) .
Ru1A N8A C42A C43A -172.6(10) .
Ru1A N8A C46A C45A 171.7(9) .
N1A C1A C2A C3A -3(2) .
N1A C5A C6A N2A -11.1(14) .
N1A C5A C6A C7A 173.3(11) .
N2A C6A C7A C8A 5.1(19) .
N2A C10A C11A N3A 7.0(14) .
N2A C10A C11A C12A -170.3(11) .
N3A C11A C12A C13A 1.3(18) .
N4A C22A C23A C24A 0.3(19) .
N5A C27A C28A C29A -4(2) .
N6A C32A C33A C34A -4(2) .
N6A C36A C37A N7A -4.2(14) .
N6A C36A C37A C38A 176.5(11) .
N7A C37A C38A C39A -3.1(17) .
N7A C41A C42A N8A -3.8(14) .
N7A C41A C42A C43A 174.2(11) .
N8A C42A C43A C44A -1(2) .
N9A C53A C54A C55A -1.9(18) .
N10A C58A C59A C60A 3(2) .
C1A N1A C5A C4A -1.3(16) .
C1A N1A C5A C6A 178.5(10) .
C1A C2A C3A C4A 2(2) .
C2A C3A C4A C5A 0(2) .
C3A C4A C5A N1A 0.3(19) .
C3A C4A C5A C6A -179.5(12) .
C4A C5A C6A N2A 168.7(11) .
C4A C5A C6A C7A -7(2) .
C5A N1A C1A C2A 2.7(19) .
C5A C6A C7A C8A -179.7(12) .
C6A N2A C10A C9A 6.0(17) .
C6A N2A C10A C11A -175.2(10) .
C6A C7A C8A C9A -3.6(18) .
C6A C7A C8A C16A 172.5(12) .
C7A C8A C9A C10A 3.7(19) .
C7A C8A C16A C17A 154.1(13) .
C7A C8A C16A C21A -26(2) .
C8A C9A C10A N2A -5(2) .
C8A C9A C10A C11A 176.4(12) .
C8A C16A C17A C18A 179.4(13) .
C8A C16A C21A C20A 178.8(13) .
C9A C8A C16A C17A -30(2) .
C9A C8A C16A C21A 149.4(14) .
C9A C10A C11A N3A -174.3(12) .
C9A C10A C11A C12A 8(2) .
C10A N2A C6A C5A 178.3(10) .
C10A N2A C6A C7A -6.0(17) .
C10A C11A C12A C13A 178.5(11) .
C11A N3A C15A C14A 5.7(18) .
C11A C12A C13A C14A 0(2) .
C12A C13A C14A C15A 1(2) .
C13A C14A C15A N3A -4(2) .
C15A N3A C11A C10A 178.4(10) .
C15A N3A C11A C12A -4.2(17) .
C16A C8A C9A C10A -172.3(12) .
C16A C17A C18A C19A 2(2) .
C16A C17A C18A C24A -176.6(12) .
C17A C16A C21A C20A -2(2) .
C17A C18A C19A C20A -1(2) .
C17A C18A C24A C23A -29.7(19) .
C17A C18A C24A C25A 149.7(13) .
C18A C19A C20A C21A -0.5(18) .
C18A C19A C20A C29A 178.8(12) .
C18A C24A C25A C26A 170.5(12) .
C19A C18A C24A C23A 152.0(12) .
C19A C18A C24A C25A -28.6(18) .
C19A C20A C21A C16A 2(2) .
C19A C20A C29A C28A 20.2(19) .
C19A C20A C29A C30A -160.5(14) .
C20A C29A C30A C31A -179.9(12) .
C21A C16A C17A C18A 0(2) .
C21A C20A C29A C28A -160.6(13) .
C21A C20A C29A C30A 19(2) .
C22A N4A C26A C25A 5.5(19) .
C22A C23A C24A C18A -172.2(11) .
C22A C23A C24A C25A 8.4(18) .
C23A C24A C25A C26A -10.1(19) .
C24A C18A C19A C20A 177.1(11) .
C24A C25A C26A N4A 3(2) .
C26A N4A C22A C23A -7.4(19) .
C27A N5A C31A C30A 7(2) .
C27A C28A C29A C20A -175.7(13) .
C27A C28A C29A C30A 5(2) .
C28A C29A C30A C31A -1(2) .
C29A C20A C21A C16A -177.3(13) .
C29A C30A C31A N5A -6(2) .
C31A N5A C27A C28A -2(2) .
C32A N6A C36A C35A -1.0(18) .
C32A N6A C36A C37A 177.1(9) .
C32A C33A C34A C35A 3.3(19) .
C33A C34A C35A C36A -2(2) .
C34A C35A C36A N6A 1(2) .
C34A C35A C36A C37A -176.9(11) .
C35A C36A C37A N7A 173.9(12) .
C35A C36A C37A C38A -5(2) .
C36A N6A C32A C33A 2.4(17) .
C36A C37A C38A C39A 176.2(11) .
C37A N7A C41A C40A 1.6(16) .
C37A N7A C41A C42A -177.3(10) .
C37A C38A C39A C40A 3.8(17) .
C37A C38A C39A C47A -176.7(11) .
C38A C39A C40A C41A -1.9(18) .
C38A C39A C47A C48A -54.0(17) .
C38A C39A C47A C52A 126.2(13) .
C39A C40A C41A N7A -0.9(17) .
C39A C40A C41A C42A 178.0(11) .
C39A C47A C48A C49A -176.8(12) .
C39A C47A C52A C51A 175.9(12) .
C40A C39A C47A C48A 125.6(14) .
C40A C39A C47A C52A -54.3(17) .
C40A C41A C42A N8A 177.3(11) .
C40A C41A C42A C43A -4.6(19) .
C41A N7A C37A C36A -178.8(9) .
C41A N7A C37A C38A 0.5(17) .
C41A C42A C43A C44A -178.7(11) .
C42A N8A C46A C45A 0.2(17) .
C42A C43A C44A C45A 2(2) .
C43A C44A C45A C46A -1(2) .
C44A C45A C46A N8A 0(2) .
C46A N8A C42A C41A 178.2(10) .
C46A N8A C42A C43A 0.1(17) .
C47A C39A C40A C41A 178.5(11) .
C47A C48A C49A C50A -4.7(18) .
C47A C48A C49A C55A 176.1(12) .
C48A C47A C52A C51A -3.9(19) .
C48A C49A C50A C51A 7.6(18) .
C48A C49A C55A C54A 18.5(19) .
C48A C49A C55A C56A -157.2(12) .
C49A C50A C51A C52A -8.4(18) .
C49A C50A C51A C60A -177.6(11) .
C49A C55A C56A C57A 173.8(11) .
C50A C49A C55A C54A -160.5(12) .
C50A C49A C55A C56A 23.8(19) .
C50A C51A C52A C47A 6.3(18) .
C50A C51A C60A C59A -40.9(18) .
C50A C51A C60A C61A 141.1(13) .
C51A C60A C61A C62A -176.8(12) .
C52A C47A C48A C49A 3.1(19) .
C52A C51A C60A C59A 150.6(13) .
C52A C51A C60A C61A -27.3(19) .
C53A N9A C57A C56A 1.9(17) .
C53A C54A C55A C49A -172.6(11) .
C53A C54A C55A C56A 3.3(18) .
C54A C55A C56A C57A -2.2(18) .
C55A C49A C50A C51A -173.3(12) .
C55A C56A C57A N9A -0.5(19) .
C57A N9A C53A C54A -0.8(16) .
C58A N10A C62A C61A -1(2) .
C58A C59A C60A C51A 175.8(13) .
C58A C59A C60A C61A -6(2) .
C59A C60A C61A C62A 5.1(19) .
C60A C51A C52A C47A 175.3(12) .
C60A C61A C62A N10A -2(2) .
C62A N10A C58A C59A 0(2) .
Ru1B N1B C1B C2B -170.8(10) .
Ru1B N1B C5B C4B 171.9(9) .
Ru1B N1B C5B C6B -4.1(13) .
Ru1B N2B C6B C5B 4.4(12) .
Ru1B N2B C6B C7B -176.8(9) .
Ru1B N2B C10B C9B 176.3(9) .
Ru1B N2B C10B C11B -2.4(13) .
Ru1B N3B C11B C10B -3.2(12) .
Ru1B N3B C11B C12B -176.5(9) .
Ru1B N3B C15B C14B 178.6(10) .
Ru1B N6B C32B C33B 177.1(9) .
Ru1B N6B C36B C35B -177.3(9) .
Ru1B N6B C36B C37B -1.8(12) .
Ru1B N7B C37B C36B -3.5(12) .
Ru1B N7B C37B C38B 178.6(8) .
Ru1B N7B C41B C40B -174.5(9) .
Ru1B N7B C41B C42B 1.3(13) .
Ru1B N8B C42B C41B -2.5(13) .
Ru1B N8B C42B C43B -177.0(10) .
Ru1B N8B C46B C45B 176.3(10) .
N1B C1B C2B C3B -1(2) .
N1B C5B C6B N2B 0.0(14) .
N1B C5B C6B C7B -178.6(12) .
N2B C6B C7B C8B -0.5(18) .
N2B C10B C11B N3B 3.6(14) .
N2B C10B C11B C12B 176.7(11) .
N3B C11B C12B C13B -2(2) .
N4B C22B C23B C24B 2(2) .
N5B C27B C28B C29B 3(2) .
N6B C32B C33B C34B 2(2) .
N6B C36B C37B N7B 3.4(14) .
N6B C36B C37B C38B -179.0(11) .
N7B C37B C38B C39B -5.8(18) .
N7B C41B C42B N8B 0.9(15) .
N7B C41B C42B C43B 175.0(12) .
N8B C42B C43B C44B -2(2) .
N9B C53B C54B C55B -4(2) .
N10B C58B C59B C60B 1(3) .
C1B N1B C5B C4B -3.5(16) .
C1B N1B C5B C6B -179.5(10) .
C1B C2B C3B C4B -3(2) .
C2B C3B C4B C5B 3(2) .
C3B C4B C5B N1B 0.4(19) .
C3B C4B C5B C6B 176.0(13) .
C4B C5B C6B N2B -175.8(11) .
C4B C5B C6B C7B 6(2) .
C5B N1B C1B C2B 3.8(18) .
C5B C6B C7B C8B 178.0(12) .
C6B N2B C10B C9B 1.0(17) .
C6B N2B C10B C11B -177.7(10) .
C6B C7B C8B C9B 2.7(18) .
C6B C7B C8B C16B 175.3(12) .
C7B C8B C9B C10B -3.1(18) .
C7B C8B C16B C17B -28.4(19) .
C7B C8B C16B C21B 154.1(13) .
C8B C9B C10B N2B 1.3(18) .
C8B C9B C10B C11B 179.8(12) .
C8B C16B C17B C18B -175.7(13) .
C8B C16B C21B C20B 172.7(12) .
C9B C8B C16B C17B 143.8(13) .
C9B C8B C16B C21B -33.6(19) .
C9B C10B C11B N3B -175.0(12) .
C9B C10B C11B C12B -2(2) .
C10B N2B C6B C5B 179.8(10) .
C10B N2B C6B C7B -1.4(16) .
C10B C11B C12B C13B -174.7(13) .
C11B N3B C15B C14B 0.0(17) .
C11B C12B C13B C14B -1(2) .
C12B C13B C14B C15B 3(2) .
C13B C14B C15B N3B -3(2) .
C15B N3B C11B C10B 175.6(10) .
C15B N3B C11B C12B 2.3(16) .
C16B C8B C9B C10B -175.6(12) .
C16B C17B C18B C19B 2(2) .
C16B C17B C18B C24B 177.8(14) .
C17B C16B C21B C20B -5(2) .
C17B C18B C19B C20B -2(2) .
C17B C18B C24B C23B -28(2) .
C17B C18B C24B C25B 148.5(14) .
C18B C19B C20B C21B -1(2) .
C18B C19B C20B C29B 175.1(13) .
C18B C24B C25B C26B -179.6(14) .
C19B C18B C24B C23B 148.2(14) .
C19B C18B C24B C25B -36(2) .
C19B C20B C21B C16B 4.3(19) .
C19B C20B C29B C28B 27.1(19) .
C19B C20B C29B C30B -151.7(13) .
C20B C29B C30B C31B 178.3(12) .
C21B C16B C17B C18B 2(2) .
C21B C20B C29B C28B -157.2(13) .
C21B C20B C29B C30B 24.0(19) .
C22B N4B C26B C25B 6.1(19) .
C22B C23B C24B C18B 179.2(13) .
C22B C23B C24B C25B 3(2) .
C23B C24B C25B C26B -3(2) .
C24B C18B C19B C20B -178.5(13) .
C24B C25B C26B N4B -1(2) .
C26B N4B C22B C23B -6.5(18) .
C27B N5B C31B C30B 2.0(19) .
C27B C28B C29B C20B -179.4(11) .
C27B C28B C29B C30B -0.5(18) .
C28B C29B C30B C31B -1(2) .
C29B C20B C21B C16B -171.5(12) .
C29B C30B C31B N5B 0(2) .
C31B N5B C27B C28B -3(2) .
C32B N6B C36B C35B 4.4(17) .
C32B N6B C36B C37B 179.9(10) .
C32B C33B C34B C35B 1.8(19) .
C33B C34B C35B C36B -2.1(19) .
C34B C35B C36B N6B -0.9(19) .
C34B C35B C36B C37B -176.1(11) .
C35B C36B C37B N7B 178.9(11) .
C35B C36B C37B C38B -3(2) .
C36B N6B C32B C33B -4.8(18) .
C36B C37B C38B C39B 176.6(11) .
C37B N7B C41B C40B 1.8(17) .
C37B N7B C41B C42B 177.7(10) .
C37B C38B C39B C40B 5.4(19) .
C37B C38B C39B C47B -175.0(11) .
C38B C39B C40B C41B -1.3(19) .
C38B C39B C47B C48B 124.5(14) .
C38B C39B C47B C52B -56.3(18) .
C39B C40B C41B N7B -2.2(18) .
C39B C40B C41B C42B -177.7(12) .
C39B C47B C48B C49B 178.9(12) .
C39B C47B C52B C51B -175.9(14) .
C40B C39B C47B C48B -55.8(19) .
C40B C39B C47B C52B 123.4(14) .
C40B C41B C42B N8B 176.6(11) .
C40B C41B C42B C43B -9(2) .
C41B N7B C37B C36B -179.8(10) .
C41B N7B C37B C38B 2.3(16) .
C41B C42B C43B C44B -175.9(13) .
C42B N8B C46B C45B -3.4(19) .
C42B C43B C44B C45B 2(2) .
C43B C44B C45B C46B -3(2) .
C44B C45B C46B N8B 3(2) .
C46B N8B C42B C41B 177.3(11) .
C46B N8B C42B C43B 2.8(18) .
C47B C39B C40B C41B 179.0(12) .
C47B C48B C49B C50B -2(2) .
C47B C48B C49B C55B 176.6(12) .
C48B C47B C52B C51B 3(2) .
C48B C49B C50B C51B 1(2) .
C48B C49B C55B C54B 29(2) .
C48B C49B C55B C56B -144.7(13) .
C49B C50B C51B C52B 2(2) .
C49B C50B C51B C60B 176.9(13) .
C49B C55B C56B C57B 177.9(11) .
C50B C49B C55B C54B -152.3(14) .
C50B C49B C55B C56B 33.6(19) .
C50B C51B C52B C47B -4(2) .
C50B C51B C60B C59B -31(2) .
C50B C51B C60B C61B 149.4(15) .
C51B C60B C61B C62B 171.5(14) .
C52B C47B C48B C49B -0.4(19) .
C52B C51B C60B C59B 144.5(15) .
C52B C51B C60B C61B -35(2) .
C53B N9B C57B C56B -1.6(17) .
C53B C54B C55B C49B -174.6(12) .
C53B C54B C55B C56B -0.1(19) .
C54B C55B C56B C57B 3.1(19) .
C55B C49B C50B C51B -177.2(13) .
C55B C56B C57B N9B -2.4(19) .
C57B N9B C53B C54B 4.6(17) .
C58B N10B C62B C61B -5(2) .
C58B C59B C60B C51B -176.9(14) .
C58B C59B C60B C61B 3(2) .
C59B C60B C61B C62B -9(2) .
C60B C51B C52B C47B -179.3(13) .
C60B C61B C62B N10B 10(2) .
C62B N10B C58B C59B -1(2) .
Pd1C N10A C58A C59A -179.3(11) .
Pd1C N10A C62A C61A 178.6(10) .
Pd1C N9B C53B C54B -179.0(9) .
Pd1C N9B C57B C56B -178.1(9) .
Pd1C P1C C1C C2C 96.1(6) .
Pd1C P1C C1C C6C -76.5(6) .
Pd1C P1C C7C C8C 158.4(4) .
Pd1C P1C C7C C12C -24.8(5) .
Pd1C P1C C13C C14C -62.9(11) .
Pd1C P2C C15C C14C 60.6(11) .
Pd1C P2C C16C C17C -143.0(4) .
Pd1C P2C C16C C21C 36.4(6) .
Pd1C P2C C22C C23C -83.7(5) .
Pd1C P2C C22C C27C 89.7(5) .
P1C C1C C2C C3C -172.6(7) .
P1C C1C C6C C5C 172.6(7) .
P1C C7C C8C C9C 176.8(6) .
P1C C7C C12C C11C -176.9(6) .
P1C C13C C14C C15C 69.0(14) .
P2C C16C C17C C18C 179.3(7) .
P2C C16C C21C C20C -179.3(7) .
P2C C22C C23C C24C 173.3(6) .
P2C C22C C27C C26C -173.4(6) .
C1C P1C C7C C8C -80.5(6) .
C1C P1C C7C C12C 96.3(6) .
C1C P1C C13C C14C 175.9(9) .
C1C C2C C3C C4C 0.0 .
C2C C1C C6C C5C 0.0 .
C2C C3C C4C C5C 0.0 .
C3C C4C C5C C6C 0.0 .
C4C C5C C6C C1C 0.0 .
C6C C1C C2C C3C 0.0 .
C7C P1C C1C C2C -25.9(7) .
C7C P1C C1C C6C 161.5(6) .
C7C P1C C13C C14C 64.5(11) .
C7C C8C C9C C10C 0.0 .
C8C C7C C12C C11C 0.0 .
C8C C9C C10C C11C 0.0 .
C9C C10C C11C C12C 0.0 .
C10C C11C C12C C7C 0.0 .
C12C C7C C8C C9C 0.0 .
C13C P1C C1C C2C -140.0(7) .
C13C P1C C1C C6C 47.4(7) .
C13C P1C C7C C8C 29.6(7) .
C13C P1C C7C C12C -153.6(6) .
C13C C14C C15C P2C -68.4(14) .
C15C P2C C16C C17C -14.3(8) .
C15C P2C C16C C21C 165.0(6) .
C15C P2C C22C C23C 152.2(6) .
C15C P2C C22C C27C -34.4(7) .
C16C P2C C15C C14C -66.7(12) .
C16C P2C C22C C23C 37.4(6) .
C16C P2C C22C C27C -149.3(5) .
C16C C17C C18C C19C 0.0 .
C17C C16C C21C C20C 0.0 .
C17C C18C C19C C20C 0.0 .
C18C C19C C20C C21C 0.0 .
C19C C20C C21C C16C 0.0 .
C21C C16C C17C C18C 0.0 .
C22C P2C C15C C14C -177.9(10) .
C22C P2C C16C C17C 97.2(6) .
C22C P2C C16C C21C -83.5(6) .
C22C C23C C24C C25C 0.0 .
C23C C22C C27C C26C 0.0 .
C23C C24C C25C C26C 0.0 .
C24C C25C C26C C27C 0.0 .
C25C C26C C27C C22C 0.0 .
C27C C22C C23C C24C 0.0 .
Pd1D N5A C27A C28A -174.5(12) .
Pd1D N5A C31A C30A 179.3(10) .
Pd1D N4B C22B C23B 179.3(9) .
Pd1D N4B C26B C25B -179.9(10) .
Pd1D P1D C1D C2D 89.5(6) .
Pd1D P1D C1D C6D -83.9(6) .
Pd1D P1D C7D C8D 148.0(5) .
Pd1D P1D C7D C12D -34.1(8) .
Pd1D P1D C13D C14D -61.0(14) .
Pd1D P2D C15D C14D 59.5(13) .
Pd1D P2D C16D C17D 85.0(6) .
Pd1D P2D C16D C21D -89.6(6) .
P1D C1D C2D C3D -173.4(7) .
P1D C1D C6D C5D 173.4(7) .
P1D C7D C8D C9D 177.9(8) .
P1D C7D C12D C11D -177.9(8) .
P1D C13D C14D C15D 66.5(17) .
P2D C22D C23D C24D -176.2(10) .
P2D C22D C27D C26D 176.1(10) .
P2D C16D C17D C18D -174.5(7) .
P2D C16D C21D C20D 174.7(7) .
C1D P1D C7D C8D -92.8(7) .
C1D P1D C7D C12D 85.1(7) .
C1D P1D C13D C14D 177.2(11) .
C1D C2D C3D C4D 0.0 .
C2D C1D C6D C5D 0.0 .
C2D C3D C4D C5D 0.0 .
C3D C4D C5D C6D 0.0 .
C4D C5D C6D C1D 0.0 .
C6D C1D C2D C3D 0.0 .
C7D P1D C1D C2D -32.6(7) .
C7D P1D C1D C6D 153.9(6) .
C7D P1D C13D C14D 63.8(13) .
C7D C8D C9D C10D 0.0 .
C8D C7D C12D C11D 0.0 .
C8D C9D C10D C11D 0.0 .
C9D C10D C11D C12D 0.0 .
C10D C11D C12D C7D 0.0 .
C12D C7D C8D C9D 0.0 .
C13D P1D C1D C2D -145.1(7) .
C13D P1D C1D C6D 41.4(8) .
C13D P1D C7D C8D 22.2(9) .
C13D P1D C7D C12D -159.9(8) .
C13D C14D C15D P2D -64.3(17) .
C15D P2D C16D C17D -42.6(8) .
C15D P2D C16D C21D 142.9(7) .
C16D P2D C15D C14D -176.8(12) .
C16D C17D C18D C19D 0.0 .
C17D C16D C21D C20D 0.0 .
C17D C18D C19D C20D 0.0 .
C18D C19D C20D C21D 0.0 .
C19D C20D C21D C16D 0.0 .
C21D C16D C17D C18D 0.0 .
Pd1E N4A C22A C23A 178.5(9) .
Pd1E N4A C26A C25A 179.7(10) .
Pd1E N10B C58B C59B 160.8(14) 2_666
Pd1E N10B C62B C61B -163.5(12) 2_666
Pd1E P1E C1E C2E -91.1(8) .
Pd1E P1E C1E C6E 84.9(7) .
Pd1E P1E C7E C8E 16.6(7) .
Pd1E P1E C7E C12E -157.0(5) .
Pd1E P1E C13E C14E 61.2(14) .
Pd1E P2E C15E C14E -56.9(12) .
Pd1E P2E C16E C17E -85.0(5) .
Pd1E P2E C16E C21E 87.3(5) .
Pd1E P2E C22E C23E 176.8(5) .
Pd1E P2E C22E C27E -3.7(8) .
P1E C1E C2E C3E 175.9(10) .
P1E C1E C6E C5E -176.2(9) .
P1E C7E C8E C9E -173.6(8) .
P1E C7E C12E C11E 173.7(8) .
P1E C13E C14E C15E -74.2(18) .
P2E C16E C17E C18E 172.2(7) .
P2E C16E C21E C20E -172.4(6) .
P2E C22E C23E C24E 179.6(8) .
P2E C22E C27E C26E -179.6(8) .
C1E P1E C7E C8E -101.7(7) .
C1E P1E C7E C12E 84.6(7) .
C1E P1E C13E C14E 179.7(12) .
C1E C2E C3E C4E 0.0 .
C2E C1E C6E C5E 0.0 .
C2E C3E C4E C5E 0.0 .
C3E C4E C5E C6E 0.0 .
C4E C5E C6E C1E 0.0 .
C6E C1E C2E C3E 0.0 .
C7E P1E C1E C2E 35.0(10) .
C7E P1E C1E C6E -149.0(8) .
C7E P1E C13E C14E -69.0(14) .
C7E C8E C9E C10E 0.0 .
C8E C7E C12E C11E 0.0 .
C8E C9E C10E C11E 0.0 .
C9E C10E C11E C12E 0.0 .
C10E C11E C12E C7E 0.0 .
C12E C7E C8E C9E 0.0 .
C13E P1E C1E C2E 148.8(10) .
C13E P1E C1E C6E -35.2(10) .
C13E P1E C7E C8E 141.5(7) .
C13E P1E C7E C12E -32.1(8) .
C13E C14E C15E P2E 70.8(16) .
C15E P2E C16E C17E 40.2(7) .
C15E P2E C16E C21E -147.5(6) .
C15E P2E C22E C23E 48.1(9) .
C15E P2E C22E C27E -132.3(8) .
C16E P2E C15E C14E 179.4(10) .
C16E P2E C22E C23E -60.5(7) .
C16E P2E C22E C27E 119.0(7) .
C16E C17E C18E C19E 0.0 .
C17E C16E C21E C20E 0.0 .
C17E C18E C19E C20E 0.0 .
C18E C19E C20E C21E 0.0 .
C19E C20E C21E C16E 0.0 .
C21E C16E C17E C18E 0.0 .
C22E P2E C15E C14E 71.9(11) .
C22E P2E C16E C17E 150.6(6) .
C22E P2E C16E C21E -37.1(6) .
C22E C23E C24E C25E 0.0 .
C23E C22E C27E C26E 0.0 .
C23E C24E C25E C26E 0.0 .
C24E C25E C26E C27E 0.0 .
C25E C26E C27E C22E 0.0 .
C27E C22E C23E C24E 0.0 .
Pd1F N9A C53A C54A 167.4(9) 2_666
Pd1F N9A C57A C56A -165.9(9) 2_666
Pd1F N5B C27B C28B -175.3(10) .
Pd1F N5B C31B C30B 174.2(10) .
Pd1F P1F C1F C2F -78.5(7) .
Pd1F P1F C1F C6F 94.6(8) .
Pd1F P1F C7F C8F 159.3(5) .
Pd1F P1F C7F C12F -23.2(8) .
Pd1F P1F C13F C14F -58.1(15) .
Pd1F P2F C15F C14F 53.6(12) .
Pd1F P2F C16F C17F 9.4(6) .
Pd1F P2F C16F C21F -166.0(4) .
Pd1F P2F C22F C23F -86.2(6) .
Pd1F P2F C22F C27F 83.0(5) .
P1F C1F C2F C3F 173.6(8) .
P1F C1F C6F C5F -172.7(9) .
P1F C7F C8F C9F 177.4(8) .
P1F C7F C12F C11F -177.5(8) .
P1F C13F C14F C15F 67.8(19) .
P2F C16F C17F C18F -175.4(6) .
P2F C16F C21F C20F 175.4(6) .
P2F C22F C23F C24F 169.0(7) .
P2F C22F C27F C26F -169.2(7) .
C1F P1F C7F C8F -81.8(7) .
C1F P1F C7F C12F 95.6(7) .
C1F P1F C13F C14F 174.2(13) .
C1F C2F C3F C4F 0.0 .
C2F C1F C6F C5F 0.0 .
C2F C3F C4F C5F 0.0 .
C3F C4F C5F C6F 0.0 .
C4F C5F C6F C1F 0.0 .
C6F C1F C2F C3F 0.0 .
C7F P1F C1F C2F 159.7(7) .
C7F P1F C1F C6F -27.2(8) .
C7F P1F C13F C14F 69.2(15) .
C7F C8F C9F C10F 0.0 .
C8F C7F C12F C11F 0.0 .
C8F C9F C10F C11F 0.0 .
C9F C10F C11F C12F 0.0 .
C10F C11F C12F C7F 0.0 .
C12F C7F C8F C9F 0.0 .
C13F P1F C1F C2F 49.7(9) .
C13F P1F C1F C6F -137.2(9) .
C13F P1F C7F C8F 33.8(9) .
C13F P1F C7F C12F -148.8(8) .
C13F C14F C15F P2F -63.4(17) .
C15F P2F C16F C17F 137.1(7) .
C15F P2F C16F C21F -38.3(8) .
C15F P2F C22F C23F 149.7(7) .
C15F P2F C22F C27F -41.1(7) .
C16F P2F C15F C14F -73.1(12) .
C16F P2F C22F C23F 35.8(7) .
C16F P2F C22F C27F -155.0(5) .
C16F C17F C18F C19F 0.0 .
C17F C16F C21F C20F 0.0 .
C17F C18F C19F C20F 0.0 .
C18F C19F C20F C21F 0.0 .
C19F C20F C21F C16F 0.0 .
C21F C16F C17F C18F 0.0 .
C22F P2F C15F C14F 173.4(11) .
C22F P2F C16F C17F -109.5(6) .
C22F P2F C16F C21F 75.1(6) .
C22F C23F C24F C25F 0.0 .
C23F C22F C27F C26F 0.0 .
C23F C24F C25F C26F 0.0 .
C24F C25F C26F C27F 0.0 .
C25F C26F C27F C22F 0.0 .
C27F C22F C23F C24F 0.0 .
#BEGIN Loops that were not found in dictionaries:
loop_
_smtbx_masks_void_nr
_smtbx_masks_void_average_x
_smtbx_masks_void_average_y
_smtbx_masks_void_average_z
_smtbx_masks_void_volume
_smtbx_masks_void_count_electrons
1 -0.877 -0.324 -0.783 5818.5 882.3
#END Loops that were not found in dictionaries
