#------------------------------------------------------------------------------
#$Date: 2016-03-25 10:09:59 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179742 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/38/7003851.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_7003851
loop_
_publ_author_name
'Kirgan, R. A.'
'Witek, P. A.'
'Moore, C.'
'Rillema, D. P.'
_publ_section_title
;
 Physical, photophysical and structural properties of ruthenium(ii)
 complexes containing a tetradentate bipyridine ligand
;
_journal_issue                   24
_journal_name_full               'Dalton Transactions'
_journal_page_first              3189
_journal_page_last               3198
_journal_paper_doi               10.1039/b800531a
_journal_year                    2008
_chemical_formula_sum            'C62 H50 F24 N12 P4 Ru2'
_chemical_formula_weight         1745.16
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                91.954(4)
_cell_angle_beta                 107.320(4)
_cell_angle_gamma                102.527(4)
_cell_formula_units_Z            4
_cell_length_a                   17.6413(11)
_cell_length_b                   18.0183(11)
_cell_length_c                   22.1426(12)
_cell_measurement_reflns_used    1213
_cell_measurement_temperature    150
_cell_measurement_theta_max      17.06
_cell_measurement_theta_min      2.87
_cell_volume                     6522.4(7)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.995
_diffrn_measured_fraction_theta_max 0.995
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0000
_diffrn_reflns_av_sigmaI/netI    0.2088
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -21
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            25518
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.80
_exptl_absorpt_coefficient_mu    0.683
_exptl_absorpt_correction_T_max  .7455
_exptl_absorpt_correction_T_min  .6416
_exptl_absorpt_correction_type   sphere
_exptl_crystal_colour            clear
_exptl_crystal_density_diffrn    1.777
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    .
_exptl_crystal_description       Needle
_exptl_crystal_F_000             3480
_exptl_crystal_size_max          0.216
_exptl_crystal_size_mid          0.079
_exptl_crystal_size_min          0.072
_refine_diff_density_max         0.802
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.168
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.047
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1874
_refine_ls_number_reflns         25530
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.047
_refine_ls_R_factor_all          0.1902
_refine_ls_R_factor_gt           0.0806
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+16.1418P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0939
_refine_ls_wR_factor_ref         0.1240
_reflns_number_gt                13265
_reflns_number_total             25530
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b800531a.txt
_cod_data_source_block           rk0025l
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_exptl_absorpt_correction_type' tag value 'spherical' was replaced
with 'sphere' value.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7003851
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.8528(5) 0.2792(5) 0.0861(4) 0.024(2) Uani 1 1 d . . .
H1 H 0.8704 0.2359 0.1002 0.029 Uiso 1 1 calc R . .
C2 C 0.8795(6) 0.3131(6) 0.0398(4) 0.030(3) Uani 1 1 d . . .
H2 H 0.9131 0.2926 0.0221 0.036 Uiso 1 1 calc R . .
C3 C 0.8558(6) 0.3776(6) 0.0201(5) 0.042(3) Uani 1 1 d . . .
H3 H 0.8739 0.4025 -0.0109 0.050 Uiso 1 1 calc R . .
C4 C 0.8045(6) 0.4061(6) 0.0467(5) 0.039(3) Uani 1 1 d . . .
H4 H 0.7889 0.4506 0.0340 0.046 Uiso 1 1 calc R . .
C5 C 0.7765(5) 0.3685(5) 0.0918(4) 0.024(2) Uani 1 1 d . . .
C6 C 0.7181(6) 0.3910(5) 0.1199(4) 0.025(2) Uani 1 1 d . . .
C7 C 0.6828(6) 0.4522(5) 0.1024(5) 0.030(3) Uani 1 1 d . . .
H7 H 0.6984 0.4840 0.0738 0.036 Uiso 1 1 calc R . .
C8 C 0.6241(6) 0.4646(6) 0.1285(5) 0.034(3) Uani 1 1 d . . .
H8 H 0.5988 0.5044 0.1164 0.041 Uiso 1 1 calc R . .
C9 C 0.6024(6) 0.4184(6) 0.1726(5) 0.034(3) Uani 1 1 d . . .
H9 H 0.5632 0.4268 0.1906 0.041 Uiso 1 1 calc R . .
C10 C 0.6405(5) 0.3604(5) 0.1884(4) 0.024(2) Uani 1 1 d . . .
H10 H 0.6278 0.3301 0.2188 0.029 Uiso 1 1 calc R . .
C11 C 0.5991(5) 0.2203(6) 0.0465(4) 0.027(2) Uani 1 1 d . . .
H11 H 0.5866 0.2641 0.0605 0.033 Uiso 1 1 calc R . .
C12 C 0.5531(6) 0.1830(6) -0.0126(5) 0.037(3) Uani 1 1 d . . .
H12 H 0.5095 0.2008 -0.0374 0.045 Uiso 1 1 calc R . .
C13 C 0.5716(6) 0.1204(6) -0.0346(5) 0.035(3) Uani 1 1 d . . .
H13 H 0.5412 0.0954 -0.0748 0.042 Uiso 1 1 calc R . .
C14 C 0.6357(6) 0.0941(5) 0.0028(5) 0.033(3) Uani 1 1 d . . .
H14 H 0.6493 0.0513 -0.0116 0.039 Uiso 1 1 calc R . .
C15 C 0.6800(6) 0.1327(5) 0.0630(5) 0.023(2) Uani 1 1 d . . .
C16 C 0.7481(6) 0.1061(5) 0.1066(4) 0.021(2) Uani 1 1 d . . .
C17 C 0.7771(6) 0.0452(6) 0.0940(5) 0.029(3) Uani 1 1 d . . .
H17 H 0.7547 0.0169 0.0543 0.034 Uiso 1 1 calc R . .
C18 C 0.8389(6) 0.0254(6) 0.1391(5) 0.037(3) Uani 1 1 d . . .
H18 H 0.8580 -0.0168 0.1306 0.045 Uiso 1 1 calc R . .
C19 C 0.8719(6) 0.0677(6) 0.1961(5) 0.032(3) Uani 1 1 d . . .
H19 H 0.9142 0.0550 0.2273 0.039 Uiso 1 1 calc R . .
C20 C 0.8421(6) 0.1308(5) 0.2081(5) 0.028(2) Uani 1 1 d . . .
H20 H 0.8643 0.1593 0.2478 0.033 Uiso 1 1 calc R . .
C21 C 0.5943(5) 0.1511(5) 0.1989(4) 0.025(2) Uani 1 1 d . . .
H21 H 0.5721 0.1397 0.1550 0.030 Uiso 1 1 calc R . .
C22 C 0.5497(6) 0.1189(6) 0.2369(5) 0.035(3) Uani 1 1 d . . .
H22 H 0.4971 0.0886 0.2183 0.042 Uiso 1 1 calc R . .
C23 C 0.5819(7) 0.1308(7) 0.3012(5) 0.048(3) Uani 1 1 d . . .
H23 H 0.5542 0.1058 0.3272 0.058 Uiso 1 1 calc R . .
C24 C 0.6564(7) 0.1809(7) 0.3264(5) 0.050(3) Uani 1 1 d . . .
H24 H 0.6784 0.1924 0.3703 0.060 Uiso 1 1 calc R . .
C25 C 0.7000(6) 0.2147(6) 0.2875(5) 0.029(3) Uani 1 1 d . . .
C26 C 0.7784(6) 0.2699(5) 0.3099(4) 0.024(2) Uani 1 1 d . . .
C27 C 0.8107(6) 0.3013(6) 0.3724(5) 0.040(3) Uani 1 1 d . . .
H27 H 0.7812 0.2884 0.4005 0.048 Uiso 1 1 calc R . .
C28 C 0.8867(6) 0.3519(6) 0.3936(5) 0.040(3) Uani 1 1 d . . .
H28 H 0.9089 0.3740 0.4355 0.047 Uiso 1 1 calc R . .
C29 C 0.9279(5) 0.3679(5) 0.3501(4) 0.025(2) Uani 1 1 d . . .
H29 H 0.9792 0.4015 0.3626 0.030 Uiso 1 1 calc R . .
C30 C 0.8936(5) 0.3342(5) 0.2872(4) 0.023(2) Uani 1 1 d . . .
C31 C 0.9413(5) 0.3504(5) 0.2408(4) 0.021(2) Uani 1 1 d . . .
H31A H 0.9240 0.3908 0.2164 0.026 Uiso 1 1 calc R . .
H31B H 0.9278 0.3049 0.2112 0.026 Uiso 1 1 calc R . .
C32 C 1.0337(5) 0.3738(5) 0.2713(4) 0.025(2) Uani 1 1 d . . .
H32A H 1.0482 0.4231 0.2960 0.030 Uiso 1 1 calc R . .
H32B H 1.0505 0.3369 0.3003 0.030 Uiso 1 1 calc R . .
C33 C 1.0799(5) 0.3788(5) 0.2238(4) 0.025(2) Uani 1 1 d . . .
C34 C 1.0444(6) 0.3989(5) 0.1630(5) 0.031(3) Uani 1 1 d . . .
H34 H 0.9946 0.4126 0.1533 0.038 Uiso 1 1 calc R . .
C35 C 1.0830(6) 0.3983(5) 0.1184(4) 0.030(3) Uani 1 1 d . . .
H35 H 1.0610 0.4137 0.0786 0.037 Uiso 1 1 calc R . .
C36 C 1.1549(6) 0.3749(6) 0.1326(4) 0.032(3) Uani 1 1 d . . .
H36 H 1.1806 0.3720 0.1018 0.039 Uiso 1 1 calc R . .
C37 C 1.1891(5) 0.3553(5) 0.1937(4) 0.021(2) Uani 1 1 d . . .
C38 C 1.2676(6) 0.3346(5) 0.2116(5) 0.023(2) Uani 1 1 d . . .
C39 C 1.3031(6) 0.3131(5) 0.1695(5) 0.028(2) Uani 1 1 d . . .
H39 H 1.2751 0.3073 0.1262 0.033 Uiso 1 1 calc R . .
C40 C 1.3809(7) 0.2995(5) 0.1907(5) 0.040(3) Uani 1 1 d . . .
H40 H 1.4057 0.2841 0.1624 0.048 Uiso 1 1 calc R . .
C41 C 1.4190(6) 0.3096(5) 0.2544(5) 0.034(3) Uani 1 1 d . . .
H41 H 1.4728 0.3052 0.2700 0.041 Uiso 1 1 calc R . .
C42 C 1.3795(6) 0.3260(5) 0.2959(5) 0.027(2) Uani 1 1 d . . .
H42 H 1.4057 0.3293 0.3394 0.032 Uiso 1 1 calc R . .
C43 C 1.1471(5) 0.1890(5) 0.2930(4) 0.022(2) Uani 1 1 d . . .
H43 H 1.1179 0.2054 0.2556 0.027 Uiso 1 1 calc R . .
C44 C 1.1299(6) 0.1130(5) 0.3000(5) 0.028(2) Uani 1 1 d . . .
H44 H 1.0910 0.0785 0.2675 0.033 Uiso 1 1 calc R . .
C45 C 1.1702(6) 0.0879(6) 0.3551(5) 0.036(3) Uani 1 1 d . . .
H45 H 1.1575 0.0365 0.3612 0.043 Uiso 1 1 calc R . .
C46 C 1.2301(6) 0.1394(6) 0.4019(5) 0.032(3) Uani 1 1 d . . .
H46 H 1.2584 0.1235 0.4398 0.038 Uiso 1 1 calc R . .
C47 C 1.2468(5) 0.2158(5) 0.3904(4) 0.020(2) Uani 1 1 d . . .
C48 C 1.3122(6) 0.2755(6) 0.4363(4) 0.024(2) Uani 1 1 d . . .
C49 C 1.3633(6) 0.2613(6) 0.4944(4) 0.032(3) Uani 1 1 d . . .
H49 H 1.3574 0.2126 0.5078 0.038 Uiso 1 1 calc R . .
C50 C 1.4228(6) 0.3225(7) 0.5310(5) 0.042(3) Uani 1 1 d . . .
H50 H 1.4576 0.3147 0.5697 0.050 Uiso 1 1 calc R . .
C51 C 1.4318(6) 0.3948(7) 0.5117(5) 0.043(3) Uani 1 1 d . . .
H51 H 1.4722 0.4356 0.5367 0.052 Uiso 1 1 calc R . .
C52 C 1.3790(6) 0.4047(6) 0.4540(4) 0.028(2) Uani 1 1 d . . .
H52 H 1.3836 0.4535 0.4408 0.034 Uiso 1 1 calc R . .
C53 C 1.1323(5) 0.3393(5) 0.4227(4) 0.020(2) Uani 1 1 d . . .
H53 H 1.1200 0.2871 0.4104 0.024 Uiso 1 1 calc R . .
C54 C 1.1044(6) 0.3631(6) 0.4704(4) 0.028(2) Uani 1 1 d . . .
H54 H 1.0731 0.3279 0.4885 0.034 Uiso 1 1 calc R . .
C55 C 1.1238(6) 0.4396(6) 0.4904(5) 0.031(3) Uani 1 1 d . . .
H55 H 1.1062 0.4574 0.5226 0.037 Uiso 1 1 calc R . .
C56 C 1.1705(6) 0.4904(5) 0.4613(4) 0.025(2) Uani 1 1 d . . .
H56 H 1.1848 0.5426 0.4743 0.031 Uiso 1 1 calc R . .
C57 C 1.1952(5) 0.4627(5) 0.4133(4) 0.017(2) Uani 1 1 d . . .
C58 C 1.2462(5) 0.5113(6) 0.3812(4) 0.022(2) Uani 1 1 d . . .
C59 C 1.2714(6) 0.5900(5) 0.3940(5) 0.030(2) Uani 1 1 d . . .
H59 H 1.2555 0.6156 0.4236 0.036 Uiso 1 1 calc R . .
C60 C 1.3211(6) 0.6301(6) 0.3617(5) 0.036(3) Uani 1 1 d . . .
H60 H 1.3380 0.6831 0.3688 0.043 Uiso 1 1 calc R . .
C61 C 1.3445(6) 0.5914(6) 0.3199(5) 0.034(3) Uani 1 1 d . . .
H61 H 1.3787 0.6175 0.2987 0.041 Uiso 1 1 calc R . .
C62 C 1.3176(5) 0.5136(5) 0.3089(4) 0.024(2) Uani 1 1 d . . .
H62 H 1.3323 0.4878 0.2787 0.029 Uiso 1 1 calc R . .
C63 C -0.3880(5) 0.7288(5) 0.2641(4) 0.026(2) Uani 1 1 d . . .
H63 H -0.3920 0.7769 0.2517 0.031 Uiso 1 1 calc R . .
C64 C -0.4417(6) 0.6916(6) 0.2931(5) 0.035(3) Uani 1 1 d . . .
H64 H -0.4807 0.7146 0.3009 0.042 Uiso 1 1 calc R . .
C65 C -0.4372(6) 0.6198(7) 0.3108(5) 0.037(3) Uani 1 1 d . . .
H65 H -0.4745 0.5927 0.3290 0.044 Uiso 1 1 calc R . .
C66 C -0.3762(6) 0.5885(6) 0.3010(5) 0.033(3) Uani 1 1 d . . .
H66 H -0.3718 0.5404 0.3134 0.040 Uiso 1 1 calc R . .
C67 C -0.3216(6) 0.6285(5) 0.2725(4) 0.021(2) Uani 1 1 d . . .
C68 C -0.2572(6) 0.6000(5) 0.2601(4) 0.020(2) Uani 1 1 d . . .
C69 C -0.2371(6) 0.5333(5) 0.2793(4) 0.025(2) Uani 1 1 d . . .
H69 H -0.2651 0.5041 0.3033 0.030 Uiso 1 1 calc R . .
C70 C -0.1770(6) 0.5092(5) 0.2636(4) 0.030(3) Uani 1 1 d . . .
H70 H -0.1642 0.4636 0.2760 0.036 Uiso 1 1 calc R . .
C71 C -0.1351(6) 0.5541(6) 0.2285(5) 0.034(3) Uani 1 1 d . . .
H71 H -0.0941 0.5388 0.2167 0.040 Uiso 1 1 calc R . .
C72 C -0.1555(5) 0.6217(5) 0.2116(4) 0.024(2) Uani 1 1 d . . .
H72 H -0.1276 0.6514 0.1877 0.029 Uiso 1 1 calc R . .
C73 C -0.1399(5) 0.7716(5) 0.3500(4) 0.023(2) Uani 1 1 d . . .
H73 H -0.1282 0.7249 0.3424 0.028 Uiso 1 1 calc R . .
C74 C -0.1114(6) 0.8077(6) 0.4119(4) 0.027(2) Uani 1 1 d . . .
H74 H -0.0803 0.7860 0.4451 0.032 Uiso 1 1 calc R . .
C75 C -0.1299(6) 0.8755(6) 0.4226(5) 0.031(3) Uani 1 1 d . . .
H75 H -0.1121 0.9001 0.4637 0.037 Uiso 1 1 calc R . .
C76 C -0.1742(6) 0.9076(5) 0.3737(4) 0.027(2) Uani 1 1 d . . .
H76 H -0.1863 0.9542 0.3810 0.033 Uiso 1 1 calc R . .
C77 C -0.2010(5) 0.8698(5) 0.3131(4) 0.020(2) Uani 1 1 d . . .
C78 C -0.2527(5) 0.8982(5) 0.2578(4) 0.019(2) Uani 1 1 d . . .
C79 C -0.2766(6) 0.9669(5) 0.2589(5) 0.026(2) Uani 1 1 d . . .
H79 H -0.2586 0.9993 0.2965 0.032 Uiso 1 1 calc R . .
C80 C -0.3263(6) 0.9866(6) 0.2050(5) 0.035(3) Uani 1 1 d . . .
H80 H -0.3426 1.0323 0.2057 0.042 Uiso 1 1 calc R . .
C81 C -0.3520(6) 0.9383(6) 0.1498(5) 0.034(3) Uani 1 1 d . . .
H81 H -0.3859 0.9510 0.1127 0.041 Uiso 1 1 calc R . .
C82 C -0.3272(6) 0.8711(6) 0.1499(5) 0.027(2) Uani 1 1 d . . .
H82 H -0.3438 0.8390 0.1122 0.032 Uiso 1 1 calc R . .
C83 C -0.3933(6) 0.6594(5) 0.1039(5) 0.028(2) Uani 1 1 d . . .
H83 H -0.4179 0.6524 0.1357 0.033 Uiso 1 1 calc R . .
C84 C -0.4383(6) 0.6258(6) 0.0424(5) 0.032(3) Uani 1 1 d . . .
H84 H -0.4922 0.5983 0.0332 0.038 Uiso 1 1 calc R . .
C85 C -0.4011(7) 0.6342(6) -0.0043(5) 0.042(3) Uani 1 1 d . . .
H85 H -0.4286 0.6116 -0.0457 0.050 Uiso 1 1 calc R . .
C86 C -0.3224(6) 0.6768(6) 0.0123(5) 0.040(3) Uani 1 1 d . . .
H86 H -0.2956 0.6817 -0.0182 0.048 Uiso 1 1 calc R . .
C87 C -0.2813(6) 0.7127(5) 0.0727(4) 0.027(2) Uani 1 1 d . . .
C88 C -0.2014(6) 0.7670(5) 0.0912(4) 0.024(2) Uani 1 1 d . . .
C89 C -0.1659(6) 0.7955(6) 0.0467(5) 0.029(3) Uani 1 1 d . . .
H89 H -0.1907 0.7782 0.0038 0.035 Uiso 1 1 calc R . .
C90 C -0.0936(6) 0.8496(6) 0.0665(5) 0.037(3) Uani 1 1 d . . .
H90 H -0.0703 0.8720 0.0370 0.044 Uiso 1 1 calc R . .
C91 C -0.0559(6) 0.8702(5) 0.1301(5) 0.027(3) Uani 1 1 d . . .
H91 H -0.0063 0.9065 0.1440 0.032 Uiso 1 1 calc R . .
C92 C -0.0910(5) 0.8374(5) 0.1742(4) 0.020(2) Uani 1 1 d . . .
C93 C -0.0453(5) 0.8547(5) 0.2435(4) 0.022(2) Uani 1 1 d . . .
H93A H -0.0605 0.8102 0.2648 0.027 Uiso 1 1 calc R . .
H93B H -0.0623 0.8964 0.2605 0.027 Uiso 1 1 calc R . .
C94 C 0.0475(5) 0.8762(5) 0.2597(4) 0.023(2) Uani 1 1 d . . .
H94A H 0.0641 0.8381 0.2379 0.028 Uiso 1 1 calc R . .
H94B H 0.0636 0.9248 0.2441 0.028 Uiso 1 1 calc R . .
C95 C 0.0912(5) 0.8822(5) 0.3292(4) 0.021(2) Uani 1 1 d . . .
C96 C 0.0545(6) 0.9017(6) 0.3727(5) 0.033(3) Uani 1 1 d . . .
H96 H 0.0042 0.9145 0.3587 0.040 Uiso 1 1 calc R . .
C97 C 0.0926(6) 0.9022(6) 0.4362(5) 0.042(3) Uani 1 1 d . . .
H97 H 0.0694 0.9171 0.4658 0.050 Uiso 1 1 calc R . .
C98 C 0.1649(6) 0.8807(6) 0.4562(5) 0.041(3) Uani 1 1 d . . .
H98 H 0.1897 0.8779 0.4992 0.050 Uiso 1 1 calc R . .
C99 C 0.2012(6) 0.8628(5) 0.4114(5) 0.029(2) Uani 1 1 d . . .
C100 C 0.2776(6) 0.8390(6) 0.4290(5) 0.033(3) Uani 1 1 d . . .
C101 C 0.3119(7) 0.8167(7) 0.4889(5) 0.054(3) Uani 1 1 d . . .
H101 H 0.2831 0.8121 0.5181 0.065 Uiso 1 1 calc R . .
C102 C 0.3887(7) 0.8012(6) 0.5052(5) 0.046(3) Uani 1 1 d . . .
H102 H 0.4119 0.7856 0.5447 0.055 Uiso 1 1 calc R . .
C103 C 0.4290(6) 0.8100(5) 0.4610(5) 0.036(3) Uani 1 1 d . . .
H103 H 0.4820 0.8034 0.4710 0.043 Uiso 1 1 calc R . .
C104 C 0.3907(6) 0.8286(5) 0.4015(5) 0.029(2) Uani 1 1 d . . .
H104 H 0.4190 0.8334 0.3719 0.035 Uiso 1 1 calc R . .
C105 C 0.3470(6) 1.0161(5) 0.3653(5) 0.027(2) Uani 1 1 d . . .
H105 H 0.3582 0.9899 0.4011 0.033 Uiso 1 1 calc R . .
C106 C 0.3857(6) 1.0921(6) 0.3715(5) 0.035(3) Uani 1 1 d . . .
H106 H 0.4219 1.1162 0.4104 0.042 Uiso 1 1 calc R . .
C107 C 0.3699(7) 1.1312(6) 0.3200(6) 0.042(3) Uani 1 1 d . . .
H107 H 0.3965 1.1823 0.3224 0.050 Uiso 1 1 calc R . .
C108 C 0.3132(6) 1.0936(6) 0.2633(5) 0.032(3) Uani 1 1 d . . .
H108 H 0.3003 1.1200 0.2278 0.038 Uiso 1 1 calc R . .
C109 C 0.2761(6) 1.0170(6) 0.2599(5) 0.027(2) Uani 1 1 d . . .
C110 C 0.2200(6) 0.9701(6) 0.2020(4) 0.024(2) Uani 1 1 d . . .
C111 C 0.1937(6) 0.9975(6) 0.1431(5) 0.035(3) Uani 1 1 d . . .
H111 H 0.2095 1.0495 0.1396 0.042 Uiso 1 1 calc R . .
C112 C 0.1452(6) 0.9493(7) 0.0905(5) 0.040(3) Uani 1 1 d . . .
H112 H 0.1284 0.9682 0.0514 0.048 Uiso 1 1 calc R . .
C113 C 0.1212(6) 0.8726(6) 0.0957(5) 0.032(3) Uani 1 1 d . . .
H113 H 0.0890 0.8386 0.0603 0.038 Uiso 1 1 calc R . .
C114 C 0.1462(5) 0.8474(6) 0.1549(4) 0.027(2) Uani 1 1 d . . .
H114 H 0.1286 0.7958 0.1589 0.033 Uiso 1 1 calc R . .
C115 C 0.1493(5) 0.6984(5) 0.2774(4) 0.023(2) Uani 1 1 d . . .
H115 H 0.1246 0.7152 0.3053 0.027 Uiso 1 1 calc R . .
C116 C 0.1223(6) 0.6232(6) 0.2496(5) 0.040(3) Uani 1 1 d . . .
H116 H 0.0794 0.5904 0.2585 0.048 Uiso 1 1 calc R . .
C117 C 0.1572(7) 0.5977(6) 0.2104(6) 0.051(3) Uani 1 1 d . . .
H117 H 0.1387 0.5476 0.1915 0.062 Uiso 1 1 calc R . .
C118 C 0.2217(7) 0.6470(6) 0.1980(5) 0.043(3) Uani 1 1 d . . .
H118 H 0.2472 0.6299 0.1710 0.052 Uiso 1 1 calc R . .
C119 C 0.2482(5) 0.7220(5) 0.2262(4) 0.021(2) Uani 1 1 d . . .
C120 C 0.3188(6) 0.7764(5) 0.2206(4) 0.023(2) Uani 1 1 d . . .
C121 C 0.3698(6) 0.7593(6) 0.1871(5) 0.030(2) Uani 1 1 d . . .
H121 H 0.3575 0.7116 0.1643 0.036 Uiso 1 1 calc R . .
C122 C 0.4387(7) 0.8141(6) 0.1882(5) 0.037(3) Uani 1 1 d . . .
H122 H 0.4731 0.8036 0.1661 0.044 Uiso 1 1 calc R . .
C123 C 0.4559(6) 0.8839(6) 0.2222(5) 0.031(3) Uani 1 1 d . . .
H123 H 0.5025 0.9211 0.2240 0.037 Uiso 1 1 calc R . .
C124 C 0.4033(6) 0.8985(6) 0.2539(4) 0.027(2) Uani 1 1 d . . .
H124 H 0.4150 0.9463 0.2764 0.032 Uiso 1 1 calc R . .
F1 F 0.9556(4) 0.0617(3) 0.4396(3) 0.0528(18) Uani 1 1 d . . .
F2 F 0.9691(4) 0.0622(3) 0.3420(3) 0.0541(18) Uani 1 1 d . . .
F3 F 1.0606(3) 0.1467(3) 0.4238(3) 0.0486(17) Uani 1 1 d . . .
F4 F 0.9736(4) 0.1884(3) 0.3441(3) 0.0548(19) Uani 1 1 d . . .
F5 F 0.9578(4) 0.1880(3) 0.4419(3) 0.0573(19) Uani 1 1 d . . .
F6 F 0.8674(4) 0.1061(4) 0.3600(3) 0.0597(19) Uani 1 1 d . . .
F7 F 0.9359(6) 0.5547(4) 0.0228(3) 0.090(3) Uani 1 1 d . . .
F8 F 0.9683(4) 0.5602(3) 0.1289(3) 0.0524(18) Uani 1 1 d . . .
F9 F 1.0502(5) 0.6390(4) 0.0849(4) 0.089(3) Uani 1 1 d . . .
F10 F 0.9423(5) 0.6814(4) 0.0276(3) 0.083(3) Uani 1 1 d . . .
F11 F 0.9734(4) 0.6870(3) 0.1347(3) 0.0511(18) Uani 1 1 d . . .
F12 F 0.8602(4) 0.6025(4) 0.0730(3) 0.064(2) Uani 1 1 d . . .
F13 F 0.3001(4) 0.0500(4) 0.0504(3) 0.059(2) Uani 1 1 d . . .
F14 F 0.3672(4) 0.1308(4) -0.0015(3) 0.075(2) Uani 1 1 d . . .
F15 F 0.4378(3) 0.0739(3) 0.0771(3) 0.0566(19) Uani 1 1 d . . .
F16 F 0.4458(3) 0.2001(3) 0.0918(3) 0.0465(17) Uani 1 1 d . . .
F17 F 0.3785(4) 0.1188(3) 0.1434(3) 0.0465(16) Uani 1 1 d . . .
F18 F 0.3091(3) 0.1762(4) 0.0656(3) 0.0568(19) Uani 1 1 d . . .
F19 F 0.6831(4) 0.4731(4) 0.4123(4) 0.093(3) Uani 1 1 d . . .
F20 F 0.6829(4) 0.3540(4) 0.4400(3) 0.0527(18) Uani 1 1 d . . .
F21 F 0.5448(3) 0.3226(3) 0.3982(3) 0.0531(18) Uani 1 1 d . . .
F22 F 0.6084(4) 0.4235(4) 0.4724(3) 0.069(2) Uani 1 1 d . . .
F23 F 0.5460(4) 0.4415(3) 0.3715(3) 0.064(2) Uani 1 1 d . . .
F24 F 0.6200(4) 0.3735(5) 0.3385(3) 0.092(3) Uani 1 1 d . . .
F25 F 0.2994(4) 0.5707(4) 0.1003(3) 0.080(2) Uani 1 1 d . . .
F26 F 0.4653(4) 0.5184(4) 0.1368(3) 0.068(2) Uani 1 1 d . . .
F27 F 0.3325(5) 0.4574(4) 0.1078(4) 0.091(3) Uani 1 1 d . . .
F28 F 0.3790(4) 0.5383(4) 0.0479(3) 0.066(2) Uani 1 1 d . . .
F29 F 0.3841(5) 0.5503(5) 0.1901(3) 0.100(3) Uani 1 1 d . . .
F30 F 0.4326(4) 0.6291(4) 0.1302(4) 0.079(2) Uani 1 1 d . . .
F31 F 0.0480(5) 0.2068(4) 0.0609(3) 0.070(2) Uani 1 1 d . . .
F32 F 0.1313(4) 0.1655(3) 0.1443(3) 0.0582(19) Uani 1 1 d . . .
F33 F 0.0544(5) 0.0836(3) 0.0576(3) 0.066(2) Uani 1 1 d . . .
F34 F -0.0592(4) 0.1170(4) 0.0653(3) 0.069(2) Uani 1 1 d . . .
F35 F 0.0245(4) 0.0738(3) 0.1490(3) 0.0506(18) Uani 1 1 d . . .
F36 F 0.0173(4) 0.1979(4) 0.1524(3) 0.0561(19) Uani 1 1 d . . .
F37 F 0.7008(4) 0.9205(5) 0.4445(4) 0.095(3) Uani 1 1 d . . .
F38 F 0.6269(5) 0.9400(6) 0.3466(4) 0.122(4) Uani 1 1 d . . .
F39 F 0.5691(4) 0.8572(4) 0.3989(4) 0.077(2) Uani 1 1 d . . .
F40 F 0.5337(4) 0.9681(4) 0.3854(3) 0.062(2) Uani 1 1 d . . .
F41 F 0.6645(5) 1.0299(5) 0.4281(5) 0.144(5) Uani 1 1 d . . .
F42 F 0.6060(5) 0.9437(5) 0.4814(3) 0.095(3) Uani 1 1 d . . .
F43 F 0.0167(4) 0.6952(4) 0.3464(3) 0.0518(18) Uani 1 1 d . . .
F44 F 0.1251(3) 0.6632(3) 0.4165(3) 0.0481(17) Uani 1 1 d . . .
F45 F 0.0233(4) 0.5710(3) 0.3507(3) 0.0492(17) Uani 1 1 d . . .
F46 F -0.0688(3) 0.6145(3) 0.3861(3) 0.0432(16) Uani 1 1 d . . .
F47 F 0.0379(3) 0.5810(3) 0.4552(2) 0.0409(15) Uani 1 1 d . . .
F48 F 0.0330(3) 0.7060(3) 0.4520(3) 0.0442(16) Uani 1 1 d . . .
N1 N 0.8027(4) 0.3042(4) 0.1128(3) 0.0207(19) Uani 1 1 d . . .
N2 N 0.6965(4) 0.3449(4) 0.1618(3) 0.0201(18) Uani 1 1 d . . .
N3 N 0.6618(4) 0.1955(4) 0.0851(3) 0.0171(18) Uani 1 1 d . . .
N4 N 0.7824(5) 0.1506(4) 0.1637(3) 0.0223(19) Uani 1 1 d . . .
N5 N 0.6686(4) 0.1984(4) 0.2230(3) 0.0192(18) Uani 1 1 d . . .
N6 N 0.8171(4) 0.2890(4) 0.2654(3) 0.0176(17) Uani 1 1 d . . .
N7 N 1.1529(4) 0.3610(4) 0.2397(3) 0.0197(18) Uani 1 1 d . . .
N8 N 1.3030(4) 0.3377(4) 0.2748(4) 0.0180(18) Uani 1 1 d . . .
N9 N 1.2044(4) 0.2417(4) 0.3374(3) 0.0206(18) Uani 1 1 d . . .
N10 N 1.3204(4) 0.3460(4) 0.4156(4) 0.0209(19) Uani 1 1 d . . .
N11 N 1.1754(4) 0.3860(4) 0.3934(3) 0.0137(17) Uani 1 1 d . . .
N12 N 1.2710(4) 0.4733(4) 0.3398(3) 0.0166(17) Uani 1 1 d . . .
N13 N -0.3298(4) 0.6986(4) 0.2527(3) 0.0174(18) Uani 1 1 d . . .
N14 N -0.2132(4) 0.6466(4) 0.2277(3) 0.0218(18) Uani 1 1 d . . .
N15 N -0.1838(4) 0.8020(4) 0.3012(3) 0.0162(18) Uani 1 1 d . . .
N16 N -0.2792(4) 0.8508(4) 0.2034(3) 0.0203(18) Uani 1 1 d . . .
N17 N -0.3164(4) 0.7013(4) 0.1194(3) 0.0201(19) Uani 1 1 d . . .
N18 N -0.1657(4) 0.7881(4) 0.1553(3) 0.0197(18) Uani 1 1 d . . .
N19 N 0.1668(4) 0.8676(4) 0.3480(3) 0.0209(18) Uani 1 1 d . . .
N20 N 0.3148(4) 0.8403(4) 0.3841(3) 0.0180(18) Uani 1 1 d . . .
N21 N 0.2956(4) 0.9782(4) 0.3124(4) 0.0232(19) Uani 1 1 d . . .
N22 N 0.1948(4) 0.8940(4) 0.2073(3) 0.0207(19) Uani 1 1 d . . .
N23 N 0.2100(5) 0.7470(4) 0.2649(4) 0.026(2) Uani 1 1 d . . .
N24 N 0.3357(5) 0.8464(5) 0.2535(4) 0.024(2) Uani 1 1 d . . .
P1 P 0.96383(17) 0.12577(16) 0.39190(13) 0.0333(7) Uani 1 1 d . . .
P2 P 0.9553(2) 0.62129(18) 0.07800(15) 0.0501(9) Uani 1 1 d . . .
P3 P 0.37301(16) 0.12550(17) 0.07096(13) 0.0328(7) Uani 1 1 d . . .
P4 P 0.61495(18) 0.39764(18) 0.40566(15) 0.0411(8) Uani 1 1 d . . .
P5 P 0.38187(18) 0.54245(18) 0.11942(14) 0.0380(8) Uani 1 1 d . . .
P6 P 0.0363(2) 0.14052(17) 0.10466(13) 0.0407(8) Uani 1 1 d . . .
P7 P 0.61772(18) 0.9455(2) 0.41469(15) 0.0479(9) Uani 1 1 d . . .
P8 P 0.02814(16) 0.63829(16) 0.40156(13) 0.0309(7) Uani 1 1 d . . .
Ru1 Ru 0.74088(4) 0.24777(4) 0.17107(3) 0.01847(19) Uani 1 1 d . . .
Ru2 Ru 1.23543(4) 0.35675(4) 0.33240(4) 0.01772(19) Uani 1 1 d . . .
Ru3 Ru -0.24543(4) 0.74841(4) 0.20992(4) 0.01838(19) Uani 1 1 d . . .
Ru4 Ru 0.25024(5) 0.86172(4) 0.29561(4) 0.01909(19) Uani 1 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'
N N 0.0061 0.0033 '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'
P P 0.1023 0.0942 '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
_geom_angle_publ_flag
N1 C1 C2 124.1(9) . . ?
N1 C1 H1 117.9 . . ?
C2 C1 H1 117.9 . . ?
C1 C2 C3 118.4(9) . . ?
C1 C2 H2 120.8 . . ?
C3 C2 H2 120.8 . . ?
C2 C3 C4 119.5(10) . . ?
C2 C3 H3 120.2 . . ?
C4 C3 H3 120.3 . . ?
C5 C4 C3 120.3(10) . . ?
C5 C4 H4 119.8 . . ?
C3 C4 H4 119.8 . . ?
C4 C5 N1 119.7(9) . . ?
C4 C5 C6 124.6(9) . . ?
N1 C5 C6 115.7(8) . . ?
N2 C6 C7 121.4(9) . . ?
N2 C6 C5 115.1(8) . . ?
C7 C6 C5 123.4(9) . . ?
C8 C7 C6 118.4(9) . . ?
C8 C7 H7 120.8 . . ?
C6 C7 H7 120.8 . . ?
C7 C8 C9 120.8(9) . . ?
C7 C8 H8 119.6 . . ?
C9 C8 H8 119.6 . . ?
C10 C9 C8 117.6(9) . . ?
C10 C9 H9 121.2 . . ?
C8 C9 H9 121.2 . . ?
N2 C10 C9 123.0(9) . . ?
N2 C10 H10 118.5 . . ?
C9 C10 H10 118.5 . . ?
N3 C11 C12 122.3(9) . . ?
N3 C11 H11 118.8 . . ?
C12 C11 H11 118.8 . . ?
C13 C12 C11 119.9(10) . . ?
C13 C12 H12 120.0 . . ?
C11 C12 H12 120.0 . . ?
C12 C13 C14 119.5(10) . . ?
C12 C13 H13 120.3 . . ?
C14 C13 H13 120.3 . . ?
C13 C14 C15 118.9(10) . . ?
C13 C14 H14 120.6 . . ?
C15 C14 H14 120.6 . . ?
N3 C15 C14 121.8(9) . . ?
N3 C15 C16 116.5(8) . . ?
C14 C15 C16 121.7(9) . . ?
C17 C16 N4 121.0(9) . . ?
C17 C16 C15 126.3(9) . . ?
N4 C16 C15 112.7(8) . . ?
C16 C17 C18 120.5(10) . . ?
C16 C17 H17 119.7 . . ?
C18 C17 H17 119.7 . . ?
C19 C18 C17 119.1(10) . . ?
C19 C18 H18 120.4 . . ?
C17 C18 H18 120.4 . . ?
C18 C19 C20 119.7(9) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
N4 C20 C19 121.0(9) . . ?
N4 C20 H20 119.5 . . ?
C19 C20 H20 119.5 . . ?
N5 C21 C22 122.2(9) . . ?
N5 C21 H21 118.9 . . ?
C22 C21 H21 118.9 . . ?
C23 C22 C21 120.5(10) . . ?
C23 C22 H22 119.7 . . ?
C21 C22 H22 119.7 . . ?
C22 C23 C24 117.8(10) . . ?
C22 C23 H23 121.1 . . ?
C24 C23 H23 121.1 . . ?
C23 C24 C25 121.0(10) . . ?
C23 C24 H24 119.5 . . ?
C25 C24 H24 119.5 . . ?
N5 C25 C24 120.2(9) . . ?
N5 C25 C26 114.9(8) . . ?
C24 C25 C26 124.9(9) . . ?
N6 C26 C27 122.6(9) . . ?
N6 C26 C25 116.2(8) . . ?
C27 C26 C25 121.1(9) . . ?
C26 C27 C28 120.5(9) . . ?
C26 C27 H27 119.7 . . ?
C28 C27 H27 119.7 . . ?
C29 C28 C27 117.1(9) . . ?
C29 C28 H28 121.4 . . ?
C27 C28 H28 121.4 . . ?
C28 C29 C30 120.8(9) . . ?
C28 C29 H29 119.6 . . ?
C30 C29 H29 119.6 . . ?
N6 C30 C29 122.0(9) . . ?
N6 C30 C31 118.0(8) . . ?
C29 C30 C31 119.9(8) . . ?
C30 C31 C32 114.6(7) . . ?
C30 C31 H31A 108.6 . . ?
C32 C31 H31A 108.6 . . ?
C30 C31 H31B 108.6 . . ?
C32 C31 H31B 108.6 . . ?
H31A C31 H31B 107.6 . . ?
C33 C32 C31 113.4(7) . . ?
C33 C32 H32A 108.9 . . ?
C31 C32 H32A 108.9 . . ?
C33 C32 H32B 108.9 . . ?
C31 C32 H32B 108.9 . . ?
H32A C32 H32B 107.7 . . ?
N7 C33 C34 121.3(9) . . ?
N7 C33 C32 119.3(8) . . ?
C34 C33 C32 119.4(9) . . ?
C35 C34 C33 119.8(10) . . ?
C35 C34 H34 120.1 . . ?
C33 C34 H34 120.1 . . ?
C34 C35 C36 119.5(9) . . ?
C34 C35 H35 120.3 . . ?
C36 C35 H35 120.3 . . ?
C35 C36 C37 119.4(9) . . ?
C35 C36 H36 120.3 . . ?
C37 C36 H36 120.3 . . ?
N7 C37 C36 120.8(9) . . ?
N7 C37 C38 118.0(8) . . ?
C36 C37 C38 121.0(9) . . ?
N8 C38 C39 121.6(9) . . ?
N8 C38 C37 114.1(8) . . ?
C39 C38 C37 124.3(9) . . ?
C38 C39 C40 120.5(9) . . ?
C38 C39 H39 119.8 . . ?
C40 C39 H39 119.8 . . ?
C41 C40 C39 117.2(9) . . ?
C41 C40 H40 121.4 . . ?
C39 C40 H40 121.4 . . ?
C40 C41 C42 120.9(10) . . ?
C40 C41 H41 119.5 . . ?
C42 C41 H41 119.5 . . ?
N8 C42 C41 121.3(9) . . ?
N8 C42 H42 119.4 . . ?
C41 C42 H42 119.4 . . ?
N9 C43 C44 123.3(9) . . ?
N9 C43 H43 118.4 . . ?
C44 C43 H43 118.4 . . ?
C43 C44 C45 119.4(9) . . ?
C43 C44 H44 120.3 . . ?
C45 C44 H44 120.3 . . ?
C44 C45 C46 119.7(10) . . ?
C44 C45 H45 120.2 . . ?
C46 C45 H45 120.2 . . ?
C45 C46 C47 117.8(9) . . ?
C45 C46 H46 121.1 . . ?
C47 C46 H46 121.1 . . ?
N9 C47 C46 122.8(8) . . ?
N9 C47 C48 114.8(8) . . ?
C46 C47 C48 122.4(9) . . ?
N10 C48 C49 122.3(9) . . ?
N10 C48 C47 113.4(8) . . ?
C49 C48 C47 124.3(9) . . ?
C50 C49 C48 117.3(10) . . ?
C50 C49 H49 121.4 . . ?
C48 C49 H49 121.4 . . ?
C51 C50 C49 121.8(10) . . ?
C51 C50 H50 119.1 . . ?
C49 C50 H50 119.1 . . ?
C50 C51 C52 117.8(10) . . ?
C50 C51 H51 121.1 . . ?
C52 C51 H51 121.1 . . ?
N10 C52 C51 122.7(10) . . ?
N10 C52 H52 118.7 . . ?
C51 C52 H52 118.7 . . ?
N11 C53 C54 124.3(9) . . ?
N11 C53 H53 117.8 . . ?
C54 C53 H53 117.8 . . ?
C55 C54 C53 118.6(9) . . ?
C55 C54 H54 120.7 . . ?
C53 C54 H54 120.7 . . ?
C54 C55 C56 118.5(9) . . ?
C54 C55 H55 120.7 . . ?
C56 C55 H55 120.7 . . ?
C57 C56 C55 119.7(9) . . ?
C57 C56 H56 120.2 . . ?
C55 C56 H56 120.2 . . ?
N11 C57 C56 121.5(8) . . ?
N11 C57 C58 114.9(8) . . ?
C56 C57 C58 123.6(8) . . ?
N12 C58 C59 121.4(8) . . ?
N12 C58 C57 115.1(8) . . ?
C59 C58 C57 123.4(9) . . ?
C58 C59 C60 118.4(9) . . ?
C58 C59 H59 120.8 . . ?
C60 C59 H59 120.8 . . ?
C61 C60 C59 119.6(10) . . ?
C61 C60 H60 120.2 . . ?
C59 C60 H60 120.2 . . ?
C60 C61 C62 119.5(10) . . ?
C60 C61 H61 120.3 . . ?
C62 C61 H61 120.3 . . ?
N12 C62 C61 122.6(9) . . ?
N12 C62 H62 118.7 . . ?
C61 C62 H62 118.7 . . ?
N13 C63 C64 122.7(9) . . ?
N13 C63 H63 118.6 . . ?
C64 C63 H63 118.6 . . ?
C63 C64 C65 119.3(10) . . ?
C63 C64 H64 120.4 . . ?
C65 C64 H64 120.4 . . ?
C64 C65 C66 118.8(10) . . ?
C64 C65 H65 120.6 . . ?
C66 C65 H65 120.6 . . ?
C67 C66 C65 120.3(10) . . ?
C67 C66 H66 119.8 . . ?
C65 C66 H66 119.8 . . ?
N13 C67 C66 119.6(9) . . ?
N13 C67 C68 116.5(8) . . ?
C66 C67 C68 123.9(9) . . ?
C69 C68 N14 120.5(9) . . ?
C69 C68 C67 124.7(9) . . ?
N14 C68 C67 114.7(8) . . ?
C70 C69 C68 120.8(9) . . ?
C70 C69 H69 119.6 . . ?
C68 C69 H69 119.6 . . ?
C69 C70 C71 118.8(10) . . ?
C69 C70 H70 120.6 . . ?
C71 C70 H70 120.6 . . ?
C72 C71 C70 118.8(9) . . ?
C72 C71 H71 120.6 . . ?
C70 C71 H71 120.6 . . ?
N14 C72 C71 122.9(9) . . ?
N14 C72 H72 118.5 . . ?
C71 C72 H72 118.5 . . ?
N15 C73 C74 122.0(9) . . ?
N15 C73 H73 119.0 . . ?
C74 C73 H73 119.0 . . ?
C75 C74 C73 118.5(9) . . ?
C75 C74 H74 120.8 . . ?
C73 C74 H74 120.8 . . ?
C76 C75 C74 120.6(9) . . ?
C76 C75 H75 119.7 . . ?
C74 C75 H75 119.7 . . ?
C75 C76 C77 118.9(9) . . ?
C75 C76 H76 120.5 . . ?
C77 C76 H76 120.5 . . ?
N15 C77 C76 121.7(8) . . ?
N15 C77 C78 115.4(8) . . ?
C76 C77 C78 122.9(9) . . ?
N16 C78 C79 120.0(8) . . ?
N16 C78 C77 114.8(8) . . ?
C79 C78 C77 125.1(8) . . ?
C80 C79 C78 120.1(9) . . ?
C80 C79 H79 119.9 . . ?
C78 C79 H79 119.9 . . ?
C79 C80 C81 119.3(10) . . ?
C79 C80 H80 120.3 . . ?
C81 C80 H80 120.3 . . ?
C80 C81 C82 119.4(10) . . ?
C80 C81 H81 120.3 . . ?
C82 C81 H81 120.3 . . ?
N16 C82 C81 121.4(9) . . ?
N16 C82 H82 119.3 . . ?
C81 C82 H82 119.3 . . ?
N17 C83 C84 123.2(9) . . ?
N17 C83 H83 118.4 . . ?
C84 C83 H83 118.4 . . ?
C85 C84 C83 118.5(10) . . ?
C85 C84 H84 120.8 . . ?
C83 C84 H84 120.8 . . ?
C86 C85 C84 117.6(10) . . ?
C86 C85 H85 121.2 . . ?
C84 C85 H85 121.2 . . ?
C85 C86 C87 122.3(10) . . ?
C85 C86 H86 118.8 . . ?
C87 C86 H86 118.8 . . ?
N17 C87 C86 120.0(9) . . ?
N17 C87 C88 115.2(8) . . ?
C86 C87 C88 124.8(9) . . ?
N18 C88 C89 122.8(9) . . ?
N18 C88 C87 115.6(8) . . ?
C89 C88 C87 121.6(9) . . ?
C90 C89 C88 119.0(9) . . ?
C90 C89 H89 120.5 . . ?
C88 C89 H89 120.5 . . ?
C91 C90 C89 119.2(9) . . ?
C91 C90 H90 120.4 . . ?
C89 C90 H90 120.4 . . ?
C90 C91 C92 120.4(9) . . ?
C90 C91 H91 119.8 . . ?
C92 C91 H91 119.8 . . ?
N18 C92 C91 121.1(8) . . ?
N18 C92 C93 119.0(8) . . ?
C91 C92 C93 119.8(8) . . ?
C92 C93 C94 114.8(7) . . ?
C92 C93 H93A 108.6 . . ?
C94 C93 H93A 108.6 . . ?
C92 C93 H93B 108.6 . . ?
C94 C93 H93B 108.6 . . ?
H93A C93 H93B 107.5 . . ?
C95 C94 C93 113.3(7) . . ?
C95 C94 H94A 108.9 . . ?
C93 C94 H94A 108.9 . . ?
C95 C94 H94B 108.9 . . ?
C93 C94 H94B 108.9 . . ?
H94A C94 H94B 107.7 . . ?
N19 C95 C96 121.8(9) . . ?
N19 C95 C94 118.3(8) . . ?
C96 C95 C94 119.9(9) . . ?
C97 C96 C95 119.6(10) . . ?
C97 C96 H96 120.2 . . ?
C95 C96 H96 120.2 . . ?
C98 C97 C96 119.8(10) . . ?
C98 C97 H97 120.1 . . ?
C96 C97 H97 120.1 . . ?
C97 C98 C99 119.3(10) . . ?
C97 C98 H98 120.4 . . ?
C99 C98 H98 120.4 . . ?
N19 C99 C98 121.5(9) . . ?
N19 C99 C100 116.1(9) . . ?
C98 C99 C100 122.4(9) . . ?
N20 C100 C101 121.1(10) . . ?
N20 C100 C99 115.9(8) . . ?
C101 C100 C99 122.9(10) . . ?
C102 C101 C100 120.5(11) . . ?
C102 C101 H101 119.8 . . ?
C100 C101 H101 119.8 . . ?
C103 C102 C101 117.4(10) . . ?
C103 C102 H102 121.3 . . ?
C101 C102 H102 121.3 . . ?
C102 C103 C104 119.7(10) . . ?
C102 C103 H103 120.2 . . ?
C104 C103 H103 120.2 . . ?
N20 C104 C103 123.5(9) . . ?
N20 C104 H104 118.2 . . ?
C103 C104 H104 118.2 . . ?
N21 C105 C106 124.4(9) . . ?
N21 C105 H105 117.8 . . ?
C106 C105 H105 117.8 . . ?
C107 C106 C105 118.6(10) . . ?
C107 C106 H106 120.7 . . ?
C105 C106 H106 120.7 . . ?
C106 C107 C108 118.8(10) . . ?
C106 C107 H107 120.6 . . ?
C108 C107 H107 120.6 . . ?
C109 C108 C107 120.0(9) . . ?
C109 C108 H108 120.0 . . ?
C107 C108 H108 120.0 . . ?
N21 C109 C108 119.7(9) . . ?
N21 C109 C110 115.1(9) . . ?
C108 C109 C110 125.0(9) . . ?
N22 C110 C111 119.3(9) . . ?
N22 C110 C109 116.1(8) . . ?
C111 C110 C109 124.6(10) . . ?
C112 C111 C110 121.0(10) . . ?
C112 C111 H111 119.5 . . ?
C110 C111 H111 119.5 . . ?
C111 C112 C113 119.6(9) . . ?
C111 C112 H112 120.2 . . ?
C113 C112 H112 120.2 . . ?
C112 C113 C114 118.2(10) . . ?
C112 C113 H113 120.9 . . ?
C114 C113 H113 120.9 . . ?
N22 C114 C113 123.1(10) . . ?
N22 C114 H114 118.4 . . ?
C113 C114 H114 118.4 . . ?
N23 C115 C116 121.1(9) . . ?
N23 C115 H115 119.4 . . ?
C116 C115 H115 119.4 . . ?
C117 C116 C115 120.6(10) . . ?
C117 C116 H116 119.7 . . ?
C115 C116 H116 119.7 . . ?
C116 C117 C118 119.1(10) . . ?
C116 C117 H117 120.5 . . ?
C118 C117 H117 120.5 . . ?
C117 C118 C119 119.8(10) . . ?
C117 C118 H118 120.1 . . ?
C119 C118 H118 120.1 . . ?
N23 C119 C118 119.9(9) . . ?
N23 C119 C120 115.6(9) . . ?
C118 C119 C120 124.4(9) . . ?
N24 C120 C121 120.9(9) . . ?
N24 C120 C119 115.0(8) . . ?
C121 C120 C119 124.0(9) . . ?
C122 C121 C120 119.3(9) . . ?
C122 C121 H121 120.4 . . ?
C120 C121 H121 120.4 . . ?
C123 C122 C121 119.5(9) . . ?
C123 C122 H122 120.2 . . ?
C121 C122 H122 120.2 . . ?
C122 C123 C124 119.1(10) . . ?
C122 C123 H123 120.4 . . ?
C124 C123 H123 120.4 . . ?
N24 C124 C123 122.7(9) . . ?
N24 C124 H124 118.6 . . ?
C123 C124 H124 118.6 . . ?
C1 N1 C5 117.9(8) . . ?
C1 N1 Ru1 127.8(7) . . ?
C5 N1 Ru1 113.4(6) . . ?
C6 N2 C10 118.7(8) . . ?
C6 N2 Ru1 115.8(6) . . ?
C10 N2 Ru1 125.0(6) . . ?
C15 N3 C11 117.6(8) . . ?
C15 N3 Ru1 114.8(6) . . ?
C11 N3 Ru1 127.4(6) . . ?
C20 N4 C16 118.6(8) . . ?
C20 N4 Ru1 125.3(6) . . ?
C16 N4 Ru1 116.0(6) . . ?
C21 N5 C25 118.1(8) . . ?
C21 N5 Ru1 125.4(6) . . ?
C25 N5 Ru1 116.5(6) . . ?
C30 N6 C26 116.4(8) . . ?
C30 N6 Ru1 130.6(6) . . ?
C26 N6 Ru1 112.8(6) . . ?
C33 N7 C37 118.8(8) . . ?
C33 N7 Ru2 129.3(6) . . ?
C37 N7 Ru2 111.1(6) . . ?
C38 N8 C42 118.0(8) . . ?
C38 N8 Ru2 117.3(6) . . ?
C42 N8 Ru2 124.6(6) . . ?
C43 N9 C47 116.9(8) . . ?
C43 N9 Ru2 126.9(6) . . ?
C47 N9 Ru2 116.3(6) . . ?
C48 N10 C52 118.1(8) . . ?
C48 N10 Ru2 116.5(6) . . ?
C52 N10 Ru2 125.1(7) . . ?
C53 N11 C57 117.3(8) . . ?
C53 N11 Ru2 127.5(6) . . ?
C57 N11 Ru2 114.1(6) . . ?
C62 N12 C58 118.5(8) . . ?
C62 N12 Ru2 125.7(6) . . ?
C58 N12 Ru2 115.8(6) . . ?
C63 N13 C67 119.2(8) . . ?
C63 N13 Ru3 126.5(7) . . ?
C67 N13 Ru3 114.3(6) . . ?
C72 N14 C68 118.0(8) . . ?
C72 N14 Ru3 127.0(7) . . ?
C68 N14 Ru3 115.0(6) . . ?
C73 N15 C77 118.3(8) . . ?
C73 N15 Ru3 126.4(6) . . ?
C77 N15 Ru3 114.4(6) . . ?
C78 N16 C82 119.7(8) . . ?
C78 N16 Ru3 115.9(6) . . ?
C82 N16 Ru3 124.4(7) . . ?
C83 N17 C87 118.2(8) . . ?
C83 N17 Ru3 124.9(6) . . ?
C87 N17 Ru3 116.9(6) . . ?
C92 N18 C88 117.1(8) . . ?
C92 N18 Ru3 129.2(6) . . ?
C88 N18 Ru3 113.2(6) . . ?
C95 N19 C99 117.5(8) . . ?
C95 N19 Ru4 130.4(6) . . ?
C99 N19 Ru4 111.8(6) . . ?
C104 N20 C100 117.3(8) . . ?
C104 N20 Ru4 126.4(6) . . ?
C100 N20 Ru4 116.3(6) . . ?
C105 N21 C109 118.4(8) . . ?
C105 N21 Ru4 126.4(7) . . ?
C109 N21 Ru4 114.8(6) . . ?
C114 N22 C110 118.8(8) . . ?
C114 N22 Ru4 126.9(7) . . ?
C110 N22 Ru4 113.8(6) . . ?
C115 N23 C119 119.5(8) . . ?
C115 N23 Ru4 125.9(7) . . ?
C119 N23 Ru4 114.5(6) . . ?
C124 N24 C120 118.5(8) . . ?
C124 N24 Ru4 126.7(7) . . ?
C120 N24 Ru4 114.8(6) . . ?
F6 P1 F4 90.0(3) . . ?
F6 P1 F5 90.3(4) . . ?
F4 P1 F5 90.8(4) . . ?
F6 P1 F3 179.2(4) . . ?
F4 P1 F3 89.4(3) . . ?
F5 P1 F3 89.2(3) . . ?
F6 P1 F2 89.3(4) . . ?
F4 P1 F2 90.0(4) . . ?
F5 P1 F2 179.1(4) . . ?
F3 P1 F2 91.2(4) . . ?
F6 P1 F1 90.9(4) . . ?
F4 P1 F1 178.6(4) . . ?
F5 P1 F1 90.3(3) . . ?
F3 P1 F1 89.8(3) . . ?
F2 P1 F1 88.9(3) . . ?
F10 P2 F7 90.8(4) . . ?
F10 P2 F9 90.3(4) . . ?
F7 P2 F9 90.9(5) . . ?
F10 P2 F8 179.8(4) . . ?
F7 P2 F8 89.1(4) . . ?
F9 P2 F8 89.7(4) . . ?
F10 P2 F12 91.3(4) . . ?
F7 P2 F12 89.7(4) . . ?
F9 P2 F12 178.3(4) . . ?
F8 P2 F12 88.7(4) . . ?
F10 P2 F11 90.4(4) . . ?
F7 P2 F11 178.5(4) . . ?
F9 P2 F11 90.1(4) . . ?
F8 P2 F11 89.8(4) . . ?
F12 P2 F11 89.3(3) . . ?
F18 P3 F14 91.3(4) . . ?
F18 P3 F17 89.3(3) . . ?
F14 P3 F17 179.1(4) . . ?
F18 P3 F16 90.2(3) . . ?
F14 P3 F16 90.9(4) . . ?
F17 P3 F16 89.8(3) . . ?
F18 P3 F15 179.4(4) . . ?
F14 P3 F15 89.3(4) . . ?
F17 P3 F15 90.1(4) . . ?
F16 P3 F15 89.8(3) . . ?
F18 P3 F13 90.1(4) . . ?
F14 P3 F13 89.4(4) . . ?
F17 P3 F13 89.9(3) . . ?
F16 P3 F13 179.5(5) . . ?
F15 P3 F13 89.8(4) . . ?
F24 P4 F19 90.3(5) . . ?
F24 P4 F22 178.4(5) . . ?
F19 P4 F22 89.4(4) . . ?
F24 P4 F21 89.6(4) . . ?
F19 P4 F21 178.7(4) . . ?
F22 P4 F21 90.6(4) . . ?
F24 P4 F20 91.7(4) . . ?
F19 P4 F20 90.5(4) . . ?
F22 P4 F20 89.9(4) . . ?
F21 P4 F20 90.8(3) . . ?
F24 P4 F23 88.7(4) . . ?
F19 P4 F23 89.8(4) . . ?
F22 P4 F23 89.7(4) . . ?
F21 P4 F23 89.0(3) . . ?
F20 P4 F23 179.5(4) . . ?
F29 P5 F27 92.9(5) . . ?
F29 P5 F26 92.6(4) . . ?
F27 P5 F26 91.9(4) . . ?
F29 P5 F28 177.4(5) . . ?
F27 P5 F28 89.1(4) . . ?
F26 P5 F28 89.0(4) . . ?
F29 P5 F25 88.9(4) . . ?
F27 P5 F25 90.7(4) . . ?
F26 P5 F25 177.0(5) . . ?
F28 P5 F25 89.5(4) . . ?
F29 P5 F30 88.1(5) . . ?
F27 P5 F30 179.0(4) . . ?
F26 P5 F30 87.8(4) . . ?
F28 P5 F30 90.0(4) . . ?
F25 P5 F30 89.6(4) . . ?
F31 P6 F33 90.5(4) . . ?
F31 P6 F35 179.8(6) . . ?
F33 P6 F35 89.6(3) . . ?
F31 P6 F32 90.2(4) . . ?
F33 P6 F32 90.3(4) . . ?
F35 P6 F32 89.6(3) . . ?
F31 P6 F34 89.2(4) . . ?
F33 P6 F34 90.6(4) . . ?
F35 P6 F34 90.9(3) . . ?
F32 P6 F34 179.0(4) . . ?
F31 P6 F36 89.8(4) . . ?
F33 P6 F36 179.6(4) . . ?
F35 P6 F36 90.1(4) . . ?
F32 P6 F36 90.0(4) . . ?
F34 P6 F36 89.1(4) . . ?
F41 P7 F42 93.0(6) . . ?
F41 P7 F38 91.6(6) . . ?
F42 P7 F38 175.3(6) . . ?
F41 P7 F40 91.4(5) . . ?
F42 P7 F40 91.5(4) . . ?
F38 P7 F40 89.1(4) . . ?
F41 P7 F37 90.1(5) . . ?
F42 P7 F37 87.8(4) . . ?
F38 P7 F37 91.4(5) . . ?
F40 P7 F37 178.4(4) . . ?
F41 P7 F39 178.6(6) . . ?
F42 P7 F39 88.3(4) . . ?
F38 P7 F39 87.0(5) . . ?
F40 P7 F39 88.5(4) . . ?
F37 P7 F39 90.0(4) . . ?
F48 P8 F47 90.9(3) . . ?
F48 P8 F46 89.6(3) . . ?
F47 P8 F46 89.9(3) . . ?
F48 P8 F45 179.6(4) . . ?
F47 P8 F45 89.5(3) . . ?
F46 P8 F45 90.4(3) . . ?
F48 P8 F44 90.1(3) . . ?
F47 P8 F44 90.8(3) . . ?
F46 P8 F44 179.2(4) . . ?
F45 P8 F44 89.8(3) . . ?
F48 P8 F43 89.7(3) . . ?
F47 P8 F43 178.9(4) . . ?
F46 P8 F43 89.2(3) . . ?
F45 P8 F43 89.9(3) . . ?
F44 P8 F43 90.1(3) . . ?
N3 Ru1 N5 95.0(3) . . ?
N3 Ru1 N2 92.9(3) . . ?
N5 Ru1 N2 94.7(3) . . ?
N3 Ru1 N4 79.2(3) . . ?
N5 Ru1 N4 92.1(3) . . ?
N2 Ru1 N4 170.1(3) . . ?
N3 Ru1 N1 81.7(3) . . ?
N5 Ru1 N1 172.9(3) . . ?
N2 Ru1 N1 79.2(3) . . ?
N4 Ru1 N1 93.4(3) . . ?
N3 Ru1 N6 172.5(3) . . ?
N5 Ru1 N6 78.6(3) . . ?
N2 Ru1 N6 91.5(3) . . ?
N4 Ru1 N6 96.9(3) . . ?
N1 Ru1 N6 105.1(3) . . ?
N9 Ru2 N12 172.7(3) . . ?
N9 Ru2 N10 78.7(3) . . ?
N12 Ru2 N10 95.1(3) . . ?
N9 Ru2 N8 88.9(3) . . ?
N12 Ru2 N8 95.5(3) . . ?
N10 Ru2 N8 95.5(3) . . ?
N9 Ru2 N11 95.8(3) . . ?
N12 Ru2 N11 79.4(3) . . ?
N10 Ru2 N11 82.7(3) . . ?
N8 Ru2 N11 174.5(3) . . ?
N9 Ru2 N7 98.7(3) . . ?
N12 Ru2 N7 87.8(3) . . ?
N10 Ru2 N7 173.6(3) . . ?
N8 Ru2 N7 78.4(3) . . ?
N11 Ru2 N7 103.5(3) . . ?
N14 Ru3 N16 172.7(3) . . ?
N14 Ru3 N13 79.4(3) . . ?
N16 Ru3 N13 95.2(3) . . ?
N14 Ru3 N17 89.5(3) . . ?
N16 Ru3 N17 95.8(3) . . ?
N13 Ru3 N17 94.9(3) . . ?
N14 Ru3 N15 95.4(3) . . ?
N16 Ru3 N15 79.0(3) . . ?
N13 Ru3 N15 82.3(3) . . ?
N17 Ru3 N15 173.8(3) . . ?
N14 Ru3 N18 97.4(3) . . ?
N16 Ru3 N18 88.6(3) . . ?
N13 Ru3 N18 172.3(3) . . ?
N17 Ru3 N18 78.1(3) . . ?
N15 Ru3 N18 105.0(3) . . ?
N20 Ru4 N24 95.0(3) . . ?
N20 Ru4 N21 94.8(3) . . ?
N24 Ru4 N21 93.2(3) . . ?
N20 Ru4 N23 91.6(3) . . ?
N24 Ru4 N23 79.0(3) . . ?
N21 Ru4 N23 170.3(3) . . ?
N20 Ru4 N22 173.8(3) . . ?
N24 Ru4 N22 82.6(3) . . ?
N21 Ru4 N22 79.7(3) . . ?
N23 Ru4 N22 93.6(3) . . ?
N20 Ru4 N19 78.5(3) . . ?
N24 Ru4 N19 172.5(3) . . ?
N21 Ru4 N19 90.9(3) . . ?
N23 Ru4 N19 97.5(3) . . ?
N22 Ru4 N19 104.3(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 N1 1.342(10) . ?
C1 C2 1.360(12) . ?
C1 H1 0.9300 . ?
C2 C3 1.362(13) . ?
C2 H2 0.9300 . ?
C3 C4 1.388(14) . ?
C3 H3 0.9300 . ?
C4 C5 1.377(12) . ?
C4 H4 0.9300 . ?
C5 N1 1.383(11) . ?
C5 C6 1.468(13) . ?
C6 N2 1.350(11) . ?
C6 C7 1.392(12) . ?
C7 C8 1.380(13) . ?
C7 H7 0.9300 . ?
C8 C9 1.390(13) . ?
C8 H8 0.9300 . ?
C9 C10 1.363(12) . ?
C9 H9 0.9300 . ?
C10 N2 1.362(10) . ?
C10 H10 0.9300 . ?
C11 N3 1.353(10) . ?
C11 C12 1.376(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.354(13) . ?
C12 H12 0.9300 . ?
C13 C14 1.375(13) . ?
C13 H13 0.9300 . ?
C14 C15 1.397(12) . ?
C14 H14 0.9300 . ?
C15 N3 1.355(11) . ?
C15 C16 1.483(12) . ?
C16 C17 1.360(12) . ?
C16 N4 1.368(10) . ?
C17 C18 1.363(13) . ?
C17 H17 0.9300 . ?
C18 C19 1.348(13) . ?
C18 H18 0.9300 . ?
C19 C20 1.400(12) . ?
C19 H19 0.9300 . ?
C20 N4 1.333(11) . ?
C20 H20 0.9300 . ?
C21 N5 1.340(10) . ?
C21 C22 1.375(12) . ?
C21 H21 0.9300 . ?
C22 C23 1.356(14) . ?
C22 H22 0.9300 . ?
C23 C24 1.367(14) . ?
C23 H23 0.9300 . ?
C24 C25 1.389(13) . ?
C24 H24 0.9300 . ?
C25 N5 1.365(11) . ?
C25 C26 1.453(13) . ?
C26 N6 1.369(10) . ?
C26 C27 1.377(12) . ?
C27 C28 1.384(13) . ?
C27 H27 0.9300 . ?
C28 C29 1.371(13) . ?
C28 H28 0.9300 . ?
C29 C30 1.398(12) . ?
C29 H29 0.9300 . ?
C30 N6 1.352(10) . ?
C30 C31 1.510(12) . ?
C31 C32 1.522(11) . ?
C31 H31A 0.9700 . ?
C31 H31B 0.9700 . ?
C32 C33 1.504(12) . ?
C32 H32A 0.9700 . ?
C32 H32B 0.9700 . ?
C33 N7 1.343(11) . ?
C33 C34 1.401(12) . ?
C34 C35 1.357(13) . ?
C34 H34 0.9300 . ?
C35 C36 1.375(13) . ?
C35 H35 0.9300 . ?
C36 C37 1.399(12) . ?
C36 H36 0.9300 . ?
C37 N7 1.363(10) . ?
C37 C38 1.457(12) . ?
C38 N8 1.345(11) . ?
C38 C39 1.356(12) . ?
C39 C40 1.391(13) . ?
C39 H39 0.9300 . ?
C40 C41 1.355(13) . ?
C40 H40 0.9300 . ?
C41 C42 1.368(12) . ?
C41 H41 0.9300 . ?
C42 N8 1.357(11) . ?
C42 H42 0.9300 . ?
C43 N9 1.348(10) . ?
C43 C44 1.362(11) . ?
C43 H43 0.9300 . ?
C44 C45 1.363(13) . ?
C44 H44 0.9300 . ?
C45 C46 1.381(13) . ?
C45 H45 0.9300 . ?
C46 C47 1.393(12) . ?
C46 H46 0.9300 . ?
C47 N9 1.350(10) . ?
C47 C48 1.487(12) . ?
C48 N10 1.358(11) . ?
C48 C49 1.402(12) . ?
C49 C50 1.379(13) . ?
C49 H49 0.9300 . ?
C50 C51 1.375(14) . ?
C50 H50 0.9300 . ?
C51 C52 1.384(12) . ?
C51 H51 0.9300 . ?
C52 N10 1.360(11) . ?
C52 H52 0.9300 . ?
C53 N11 1.327(10) . ?
C53 C54 1.382(12) . ?
C53 H53 0.9300 . ?
C54 C55 1.371(12) . ?
C54 H54 0.9300 . ?
C55 C56 1.401(12) . ?
C55 H55 0.9300 . ?
C56 C57 1.379(12) . ?
C56 H56 0.9300 . ?
C57 N11 1.373(10) . ?
C57 C58 1.472(12) . ?
C58 N12 1.351(11) . ?
C58 C59 1.383(12) . ?
C59 C60 1.391(13) . ?
C59 H59 0.9300 . ?
C60 C61 1.350(13) . ?
C60 H60 0.9300 . ?
C61 C62 1.367(12) . ?
C61 H61 0.9300 . ?
C62 N12 1.335(10) . ?
C62 H62 0.9300 . ?
C63 N13 1.341(11) . ?
C63 C64 1.371(12) . ?
C63 H63 0.9300 . ?
C64 C65 1.376(13) . ?
C64 H64 0.9300 . ?
C65 C66 1.384(13) . ?
C65 H65 0.9300 . ?
C66 C67 1.393(12) . ?
C66 H66 0.9300 . ?
C67 N13 1.372(11) . ?
C67 C68 1.434(12) . ?
C68 C69 1.372(12) . ?
C68 N14 1.383(11) . ?
C69 C70 1.357(13) . ?
C69 H69 0.9300 . ?
C70 C71 1.388(13) . ?
C70 H70 0.9300 . ?
C71 C72 1.376(12) . ?
C71 H71 0.9300 . ?
C72 N14 1.330(11) . ?
C72 H72 0.9300 . ?
C73 N15 1.340(10) . ?
C73 C74 1.393(12) . ?
C73 H73 0.9300 . ?
C74 C75 1.362(12) . ?
C74 H74 0.9300 . ?
C75 C76 1.361(12) . ?
C75 H75 0.9300 . ?
C76 C77 1.381(12) . ?
C76 H76 0.9300 . ?
C77 N15 1.358(11) . ?
C77 C78 1.474(12) . ?
C78 N16 1.348(11) . ?
C78 C79 1.393(12) . ?
C79 C80 1.364(13) . ?
C79 H79 0.9300 . ?
C80 C81 1.373(13) . ?
C80 H80 0.9300 . ?
C81 C82 1.374(12) . ?
C81 H81 0.9300 . ?
C82 N16 1.351(11) . ?
C82 H82 0.9300 . ?
C83 N17 1.337(11) . ?
C83 C84 1.393(12) . ?
C83 H83 0.9300 . ?
C84 C85 1.378(13) . ?
C84 H84 0.9300 . ?
C85 C86 1.367(13) . ?
C85 H85 0.9300 . ?
C86 C87 1.374(13) . ?
C86 H86 0.9300 . ?
C87 N17 1.355(11) . ?
C87 C88 1.464(13) . ?
C88 N18 1.373(11) . ?
C88 C89 1.374(12) . ?
C89 C90 1.367(13) . ?
C89 H89 0.9300 . ?
C90 C91 1.365(13) . ?
C90 H90 0.9300 . ?
C91 C92 1.388(12) . ?
C91 H91 0.9300 . ?
C92 N18 1.356(10) . ?
C92 C93 1.493(11) . ?
C93 C94 1.524(11) . ?
C93 H93A 0.9700 . ?
C93 H93B 0.9700 . ?
C94 C95 1.489(12) . ?
C94 H94A 0.9700 . ?
C94 H94B 0.9700 . ?
C95 N19 1.360(11) . ?
C95 C96 1.386(12) . ?
C96 C97 1.365(13) . ?
C96 H96 0.9300 . ?
C97 C98 1.366(13) . ?
C97 H97 0.9300 . ?
C98 C99 1.393(13) . ?
C98 H98 0.9300 . ?
C99 N19 1.368(11) . ?
C99 C100 1.449(13) . ?
C100 N20 1.342(12) . ?
C100 C101 1.398(13) . ?
C101 C102 1.387(14) . ?
C101 H101 0.9300 . ?
C102 C103 1.364(14) . ?
C102 H102 0.9300 . ?
C103 C104 1.380(12) . ?
C103 H103 0.9300 . ?
C104 N20 1.344(11) . ?
C104 H104 0.9300 . ?
C105 N21 1.305(11) . ?
C105 C106 1.373(12) . ?
C105 H105 0.9300 . ?
C106 C107 1.351(12) . ?
C106 H106 0.9300 . ?
C107 C108 1.392(14) . ?
C107 H107 0.9300 . ?
C108 C109 1.383(12) . ?
C108 H108 0.9300 . ?
C109 N21 1.371(11) . ?
C109 C110 1.463(13) . ?
C110 N22 1.367(11) . ?
C110 C111 1.395(12) . ?
C111 C112 1.362(13) . ?
C111 H111 0.9300 . ?
C112 C113 1.374(13) . ?
C112 H112 0.9300 . ?
C113 C114 1.379(12) . ?
C113 H113 0.9300 . ?
C114 N22 1.347(11) . ?
C114 H114 0.9300 . ?
C115 N23 1.333(10) . ?
C115 C116 1.391(12) . ?
C115 H115 0.9300 . ?
C116 C117 1.324(14) . ?
C116 H116 0.9300 . ?
C117 C118 1.386(14) . ?
C117 H117 0.9300 . ?
C118 C119 1.388(13) . ?
C118 H118 0.9300 . ?
C119 N23 1.356(11) . ?
C119 C120 1.450(12) . ?
C120 N24 1.362(11) . ?
C120 C121 1.399(12) . ?
C121 C122 1.382(13) . ?
C121 H121 0.9300 . ?
C122 C123 1.371(13) . ?
C122 H122 0.9300 . ?
C123 C124 1.379(12) . ?
C123 H123 0.9300 . ?
C124 N24 1.346(11) . ?
C124 H124 0.9300 . ?
F1 P1 1.602(6) . ?
F2 P1 1.600(6) . ?
F3 P1 1.594(6) . ?
F4 P1 1.591(6) . ?
F5 P1 1.592(6) . ?
F6 P1 1.589(6) . ?
F7 P2 1.588(7) . ?
F8 P2 1.604(6) . ?
F9 P2 1.595(8) . ?
F10 P2 1.584(7) . ?
F11 P2 1.604(6) . ?
F12 P2 1.606(7) . ?
F13 P3 1.600(6) . ?
F14 P3 1.585(6) . ?
F15 P3 1.603(6) . ?
F16 P3 1.589(6) . ?
F17 P3 1.588(6) . ?
F18 P3 1.579(6) . ?
F19 P4 1.577(7) . ?
F20 P4 1.594(6) . ?
F21 P4 1.589(6) . ?
F22 P4 1.580(7) . ?
F23 P4 1.608(6) . ?
F24 P4 1.568(7) . ?
F25 P5 1.589(7) . ?
F26 P5 1.566(6) . ?
F27 P5 1.560(7) . ?
F28 P5 1.568(6) . ?
F29 P5 1.553(7) . ?
F30 P5 1.593(7) . ?
F31 P6 1.582(6) . ?
F32 P6 1.598(7) . ?
F33 P6 1.584(6) . ?
F34 P6 1.602(7) . ?
F35 P6 1.596(6) . ?
F36 P6 1.606(6) . ?
F37 P7 1.586(7) . ?
F38 P7 1.566(8) . ?
F39 P7 1.607(7) . ?
F40 P7 1.578(6) . ?
F41 P7 1.537(8) . ?
F42 P7 1.552(7) . ?
F43 P8 1.615(6) . ?
F44 P8 1.599(6) . ?
F45 P8 1.597(6) . ?
F46 P8 1.597(6) . ?
F47 P8 1.595(6) . ?
F48 P8 1.597(6) . ?
N1 Ru1 2.082(7) . ?
N2 Ru1 2.060(7) . ?
N3 Ru1 2.044(7) . ?
N4 Ru1 2.058(7) . ?
N5 Ru1 2.048(7) . ?
N6 Ru1 2.124(7) . ?
N7 Ru2 2.149(7) . ?
N8 Ru2 2.054(7) . ?
N9 Ru2 2.042(7) . ?
N10 Ru2 2.046(8) . ?
N11 Ru2 2.066(7) . ?
N12 Ru2 2.043(7) . ?
N13 Ru3 2.058(7) . ?
N14 Ru3 2.053(7) . ?
N15 Ru3 2.074(7) . ?
N16 Ru3 2.054(7) . ?
N17 Ru3 2.058(7) . ?
N18 Ru3 2.142(7) . ?
N19 Ru4 2.144(7) . ?
N20 Ru4 2.049(7) . ?
N21 Ru4 2.056(7) . ?
N22 Ru4 2.075(7) . ?
N23 Ru4 2.054(8) . ?
N24 Ru4 2.053(8) . ?
