#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:19:48 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179810 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/06/7010606.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_7010606
loop_
_publ_author_name
'Jasim, Naseralla A.'
'Perutz, Robin N.'
'Foxon, Simon P.'
'Walton, Paul H.'
_publ_section_title
;
 Synthesis, characterisation and reactivity of ruthenium
 bis-bifluoride, ruthenium hydride bifluoride and ruthenium hydride
 fluoride complexes
;
_journal_issue                   11
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              1676
_journal_paper_doi               10.1039/b101007g
_journal_year                    2001
_chemical_formula_moiety         '2(C4 H8 O), C54 H54 F2 P4 Ru'
_chemical_formula_sum            'C62 H70 F2 O2 P4 Ru'
_chemical_formula_weight         1110.13
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_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                112.51(3)
_cell_angle_beta                 96.17(4)
_cell_angle_gamma                109.18(3)
_cell_formula_units_Z            1
_cell_length_a                   11.812(5)
_cell_length_b                   12.060(6)
_cell_length_c                   11.379(5)
_cell_measurement_reflns_used    20
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      6.215
_cell_measurement_theta_min      4.405
_cell_volume                     1362.9(12)
_computing_cell_refinement       '(MSC/AFC Diffractometer Control)'
_computing_data_collection       '(MSC/AFC Diffractometer Control)'
_computing_data_reduction        '(teXsan, MSC 1992-1997)'
_computing_molecular_graphics    '(teXsan, MSC 1992-1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution
;
SAPI91 (Fan, 1991)
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.810
_diffrn_measured_fraction_theta_max 0.810
_diffrn_measurement_device_type  'Rigaku AFC6S'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.0518
_diffrn_reflns_av_sigmaI/netI    0.0538
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            5371
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         2.11
_diffrn_standards_decay_%        0.42
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.455
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.943
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.353
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             580
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         0.844
_refine_diff_density_min         -1.006
_refine_diff_density_rms         0.091
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.040
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     349
_refine_ls_number_reflns         5062
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.040
_refine_ls_R_factor_all          0.0710
_refine_ls_R_factor_gt           0.0445
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0664P)²+1.8415P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1162
_refine_ls_wR_factor_ref         0.1279
_reflns_number_gt                3885
_reflns_number_total             5065
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b101007g.txt
_cod_data_source_block           shelxl
_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 
;
_cod_original_cell_volume        1362.9(10)
_cod_database_code               7010606
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
Ru1 Ru 0.0000 0.0000 0.0000 0.01836(14) Uani 1 2 d S . .
P1 P -0.00514(8) 0.01897(9) -0.19964(9) 0.0187(2) Uani 1 1 d . . .
P2 P 0.21374(8) 0.04041(9) 0.01694(9) 0.0191(2) Uani 1 1 d . . .
F1 F 0.0295(4) 0.2141(4) 0.1446(4) 0.0276(10) Uani 0.50 1 d P . .
F2 F -0.0501(7) 0.3575(7) 0.2623(10) 0.096(3) Uani 0.50 1 d P . .
C1 C 0.0771(4) -0.0642(4) -0.3080(4) 0.0246(8) Uani 1 1 d . . .
H1A H 0.0398 -0.1569 -0.3306 0.029 Uiso 1 1 calc R . .
H1B H 0.0634 -0.0559 -0.3892 0.029 Uiso 1 1 calc R . .
C2 C 0.2174(4) -0.0134(4) -0.2503(4) 0.0262(8) Uani 1 1 d . . .
H2A H 0.2543 0.0812 -0.2166 0.031 Uiso 1 1 calc R . .
H2B H 0.2541 -0.0502 -0.3197 0.031 Uiso 1 1 calc R . .
C3 C 0.2470(4) -0.0494(4) -0.1388(4) 0.0248(8) Uani 1 1 d . . .
H3A H 0.3344 -0.0336 -0.1200 0.030 Uiso 1 1 calc R . .
H3B H 0.1995 -0.1426 -0.1699 0.030 Uiso 1 1 calc R . .
C4 C 0.0559(3) 0.1832(4) -0.1934(4) 0.0227(8) Uani 1 1 d . . .
C5 C 0.0593(4) 0.2894(4) -0.0826(4) 0.0290(9) Uani 1 1 d . . .
H5 H 0.0353 0.2767 -0.0120 0.035 Uiso 1 1 calc R . .
C6 C 0.0981(4) 0.4136(4) -0.0766(5) 0.0381(10) Uani 1 1 d . . .
H6 H 0.0999 0.4835 -0.0023 0.046 Uiso 1 1 calc R . .
C7 C 0.1345(4) 0.4340(5) -0.1817(5) 0.0424(12) Uani 1 1 d . . .
H7 H 0.1589 0.5169 -0.1784 0.051 Uiso 1 1 calc R . .
C8 C 0.1343(5) 0.3314(5) -0.2897(5) 0.0432(12) Uani 1 1 d . . .
H8 H 0.1606 0.3454 -0.3589 0.052 Uiso 1 1 calc R . .
C9 C 0.0950(4) 0.2061(4) -0.2968(4) 0.0321(9) Uani 1 1 d . . .
H9 H 0.0948 0.1371 -0.3710 0.038 Uiso 1 1 calc R . .
C10 C -0.1546(3) -0.0652(4) -0.3286(3) 0.0203(8) Uani 1 1 d . . .
C11 C -0.2020(4) -0.0039(4) -0.3904(4) 0.0253(8) Uani 1 1 d . . .
H11 H -0.1607 0.0855 -0.3636 0.030 Uiso 1 1 calc R . .
C12 C -0.3120(4) -0.0771(5) -0.4928(4) 0.0321(9) Uani 1 1 d . . .
H12 H -0.3438 -0.0355 -0.5331 0.038 Uiso 1 1 calc R . .
C13 C -0.3737(4) -0.2098(5) -0.5347(4) 0.0357(10) Uani 1 1 d . . .
H13 H -0.4464 -0.2577 -0.6032 0.043 Uiso 1 1 calc R . .
C14 C -0.3269(4) -0.2719(4) -0.4744(4) 0.0357(10) Uani 1 1 d . . .
H14 H -0.3682 -0.3616 -0.5024 0.043 Uiso 1 1 calc R . .
C15 C -0.2182(4) -0.2001(4) -0.3719(4) 0.0279(9) Uani 1 1 d . . .
H15 H -0.1874 -0.2422 -0.3316 0.034 Uiso 1 1 calc R . .
C16 C 0.3274(4) 0.2084(4) 0.0687(4) 0.0263(8) Uani 1 1 d . . .
C17 C 0.4452(4) 0.2343(5) 0.0455(5) 0.0433(12) Uani 1 1 d . . .
H17 H 0.4685 0.1653 0.0048 0.052 Uiso 1 1 calc R . .
C18 C 0.5275(5) 0.3618(6) 0.0826(6) 0.0588(16) Uani 1 1 d . . .
H18 H 0.6051 0.3772 0.0658 0.071 Uiso 1 1 calc R . .
C19 C 0.4962(5) 0.4658(5) 0.1439(6) 0.0562(15) Uani 1 1 d . . .
H19 H 0.5519 0.5510 0.1682 0.067 Uiso 1 1 calc R . .
C20 C 0.3811(5) 0.4421(5) 0.1688(5) 0.0488(13) Uani 1 1 d . . .
H20 H 0.3597 0.5121 0.2116 0.059 Uiso 1 1 calc R . .
C21 C 0.2963(4) 0.3144(4) 0.1307(4) 0.0349(10) Uani 1 1 d . . .
H21 H 0.2184 0.2999 0.1468 0.042 Uiso 1 1 calc R . .
C22 C 0.2950(3) -0.0176(4) 0.1141(4) 0.0226(8) Uani 1 1 d . . .
C23 C 0.2471(4) -0.1520(4) 0.0778(4) 0.0288(9) Uani 1 1 d . . .
H23 H 0.1743 -0.2076 0.0102 0.035 Uiso 1 1 calc R . .
C24 C 0.3066(4) -0.2035(5) 0.1410(5) 0.0375(10) Uani 1 1 d . . .
H24 H 0.2728 -0.2929 0.1172 0.045 Uiso 1 1 calc R . .
C25 C 0.4170(4) -0.1215(5) 0.2401(5) 0.0423(11) Uani 1 1 d . . .
H25 H 0.4578 -0.1562 0.2816 0.051 Uiso 1 1 calc R . .
C26 C 0.4655(4) 0.0104(5) 0.2766(4) 0.0379(11) Uani 1 1 d . . .
H26 H 0.5388 0.0653 0.3436 0.046 Uiso 1 1 calc R . .
C27 C 0.4052(4) 0.0627(4) 0.2133(4) 0.0284(9) Uani 1 1 d . . .
H27 H 0.4394 0.1523 0.2379 0.034 Uiso 1 1 calc R . .
C28 C 0.8181(8) 0.3398(9) 0.6159(10) 0.107(3) Uani 1 1 d . . .
C31 C 0.6852(10) 0.3797(14) 0.4957(15) 0.185(7) Uani 1 1 d . . .
O1 O 0.6943(7) 0.3047(8) 0.5677(8) 0.153(3) Uani 1 1 d . A 1
C29 C 0.8904(14) 0.465(2) 0.625(3) 0.133(9) Uani 0.50 1 d P A 1
C30 C 0.8037(15) 0.4678(15) 0.5145(19) 0.077(6) Uani 0.50 1 d P A 1
C32 C 0.8513(18) 0.3482(17) 0.500(3) 0.152(12) Uani 0.50 1 d P A 2
C33 C 0.7638(19) 0.397(3) 0.437(2) 0.099(7) Uani 0.50 1 d P A 2
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru Ru -1.2594 0.8363 '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'
F F 0.0171 0.0103 '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'
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'
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-2 0 -1
-1 2 -2
-1 -2 1
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
F1 Ru1 F1 180.0 . 2 ?
F1 Ru1 P1 80.20(11) . 2 ?
F1 Ru1 P1 99.80(11) 2 2 ?
F1 Ru1 P1 99.80(11) . . ?
F1 Ru1 P1 80.20(11) 2 . ?
P1 Ru1 P1 180.0 2 . ?
F1 Ru1 P2 82.87(12) . 2 ?
F1 Ru1 P2 97.13(12) 2 2 ?
P1 Ru1 P2 86.28(5) 2 2 ?
P1 Ru1 P2 93.72(5) . 2 ?
F1 Ru1 P2 97.13(12) . . ?
F1 Ru1 P2 82.87(12) 2 . ?
P1 Ru1 P2 93.72(5) 2 . ?
P1 Ru1 P2 86.28(5) . . ?
P2 Ru1 P2 180.0 2 . ?
C4 P1 C1 102.19(18) . . ?
C4 P1 C10 102.36(17) . . ?
C1 P1 C10 94.50(17) . . ?
C4 P1 Ru1 119.22(13) . . ?
C1 P1 Ru1 115.51(13) . . ?
C10 P1 Ru1 119.06(12) . . ?
C16 P2 C3 100.93(19) . . ?
C16 P2 C22 102.31(18) . . ?
C3 P2 C22 94.55(17) . . ?
C16 P2 Ru1 119.40(14) . . ?
C3 P2 Ru1 114.69(14) . . ?
C22 P2 Ru1 120.62(13) . . ?
F2 F1 Ru1 149.7(3) . . ?
C2 C1 P1 115.7(3) . . ?
C1 C2 C3 111.9(3) . . ?
C2 C3 P2 115.4(3) . . ?
C5 C4 C9 118.2(4) . . ?
C5 C4 P1 118.8(3) . . ?
C9 C4 P1 123.0(3) . . ?
C6 C5 C4 120.8(4) . . ?
C5 C6 C7 120.1(4) . . ?
C8 C7 C6 119.8(4) . . ?
C7 C8 C9 120.5(4) . . ?
C8 C9 C4 120.6(4) . . ?
C11 C10 C15 118.8(3) . . ?
C11 C10 P1 123.8(3) . . ?
C15 C10 P1 117.3(3) . . ?
C10 C11 C12 119.9(4) . . ?
C13 C12 C11 120.8(4) . . ?
C12 C13 C14 119.7(4) . . ?
C13 C14 C15 120.0(4) . . ?
C14 C15 C10 120.8(4) . . ?
C21 C16 C17 118.0(4) . . ?
C21 C16 P2 119.9(3) . . ?
C17 C16 P2 122.1(3) . . ?
C18 C17 C16 120.6(5) . . ?
C19 C18 C17 121.0(5) . . ?
C18 C19 C20 119.1(5) . . ?
C19 C20 C21 120.8(5) . . ?
C16 C21 C20 120.5(4) . . ?
C27 C22 C23 118.3(4) . . ?
C27 C22 P2 123.9(3) . . ?
C23 C22 P2 117.6(3) . . ?
C24 C23 C22 120.9(4) . . ?
C23 C24 C25 120.0(4) . . ?
C26 C25 C24 119.9(4) . . ?
C25 C26 C27 120.2(4) . . ?
C22 C27 C26 120.7(4) . . ?
O1 C28 C29 111.0(9) . . ?
O1 C28 C32 94.9(11) . . ?
C29 C28 C32 60.7(12) . . ?
C33 C31 C30 39.7(12) . . ?
C33 C31 O1 115.0(16) . . ?
C30 C31 O1 108.6(9) . . ?
C28 O1 C31 106.6(7) . . ?
C28 C29 C30 100.4(12) . . ?
C31 C30 C29 106.4(13) . . ?
C28 C32 C33 109.8(10) . . ?
C31 C33 C32 97.5(14) . . ?
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
Ru1 F1 2.351(5) . ?
Ru1 F1 2.351(5) 2 ?
Ru1 P1 2.3652(14) 2 ?
Ru1 P1 2.3653(14) . ?
Ru1 P2 2.3798(14) 2 ?
Ru1 P2 2.3798(14) . ?
P1 C4 1.842(4) . ?
P1 C1 1.849(4) . ?
P1 C10 1.851(4) . ?
P2 C16 1.839(4) . ?
P2 C3 1.852(4) . ?
P2 C22 1.854(4) . ?
F1 F2 2.288(8) . ?
C1 C2 1.531(5) . ?
C2 C3 1.532(5) . ?
C4 C5 1.396(6) . ?
C4 C9 1.399(5) . ?
C5 C6 1.386(6) . ?
C6 C7 1.393(7) . ?
C7 C8 1.369(7) . ?
C8 C9 1.393(6) . ?
C10 C11 1.392(5) . ?
C10 C15 1.399(5) . ?
C11 C12 1.399(6) . ?
C12 C13 1.377(6) . ?
C13 C14 1.386(6) . ?
C14 C15 1.390(6) . ?
C16 C21 1.393(6) . ?
C16 C17 1.400(6) . ?
C17 C18 1.386(7) . ?
C18 C19 1.373(8) . ?
C19 C20 1.379(8) . ?
C20 C21 1.394(6) . ?
C22 C27 1.388(6) . ?
C22 C23 1.397(6) . ?
C23 C24 1.385(6) . ?
C24 C25 1.390(7) . ?
C25 C26 1.369(7) . ?
C26 C27 1.399(6) . ?
C28 O1 1.364(11) . ?
C28 C29 1.431(16) . ?
C28 C32 1.45(3) . ?
C31 C33 1.21(2) . ?
C31 C30 1.385(19) . ?
C31 O1 1.454(10) . ?
C29 C30 1.55(2) . ?
C32 C33 1.58(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
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
F1 Ru1 P1 C4 17.27(18) . . . . ?
F1 Ru1 P1 C4 -162.72(18) 2 . . . ?
P1 Ru1 P1 C4 141(4) 2 . . . ?
P2 Ru1 P1 C4 100.67(15) 2 . . . ?
P2 Ru1 P1 C4 -79.33(15) . . . . ?
F1 Ru1 P1 C1 139.63(18) . . . . ?
F1 Ru1 P1 C1 -40.37(18) 2 . . . ?
P1 Ru1 P1 C1 -97(4) 2 . . . ?
P2 Ru1 P1 C1 -136.97(15) 2 . . . ?
P2 Ru1 P1 C1 43.03(15) . . . . ?
F1 Ru1 P1 C10 -108.99(18) . . . . ?
F1 Ru1 P1 C10 71.01(18) 2 . . . ?
P1 Ru1 P1 C10 15(4) 2 . . . ?
P2 Ru1 P1 C10 -25.59(14) 2 . . . ?
P2 Ru1 P1 C10 154.41(14) . . . . ?
F1 Ru1 P2 C16 -22.99(18) . . . . ?
F1 Ru1 P2 C16 157.02(18) 2 . . . ?
P1 Ru1 P2 C16 -103.56(15) 2 . . . ?
P1 Ru1 P2 C16 76.44(15) . . . . ?
P2 Ru1 P2 C16 -142.9(12) 2 . . . ?
F1 Ru1 P2 C3 -142.88(18) . . . . ?
F1 Ru1 P2 C3 37.12(18) 2 . . . ?
P1 Ru1 P2 C3 136.55(15) 2 . . . ?
P1 Ru1 P2 C3 -43.45(15) . . . . ?
P2 Ru1 P2 C3 97.2(12) 2 . . . ?
F1 Ru1 P2 C22 105.18(18) . . . . ?
F1 Ru1 P2 C22 -74.82(18) 2 . . . ?
P1 Ru1 P2 C22 24.60(15) 2 . . . ?
P1 Ru1 P2 C22 -155.39(15) . . . . ?
P2 Ru1 P2 C22 -14.7(12) 2 . . . ?
F1 Ru1 F1 F2 -101(4) 2 . . . ?
P1 Ru1 F1 F2 -78.8(7) 2 . . . ?
P1 Ru1 F1 F2 101.2(7) . . . . ?
P2 Ru1 F1 F2 8.7(7) 2 . . . ?
P2 Ru1 F1 F2 -171.3(7) . . . . ?
C4 P1 C1 C2 68.5(3) . . . . ?
C10 P1 C1 C2 172.2(3) . . . . ?
Ru1 P1 C1 C2 -62.6(3) . . . . ?
P1 C1 C2 C3 70.4(4) . . . . ?
C1 C2 C3 P2 -71.3(4) . . . . ?
C16 P2 C3 C2 -65.8(3) . . . . ?
C22 P2 C3 C2 -169.3(3) . . . . ?
Ru1 P2 C3 C2 63.9(3) . . . . ?
C1 P1 C4 C5 -152.9(3) . . . . ?
C10 P1 C4 C5 109.7(3) . . . . ?
Ru1 P1 C4 C5 -24.2(4) . . . . ?
C1 P1 C4 C9 29.4(4) . . . . ?
C10 P1 C4 C9 -68.0(4) . . . . ?
Ru1 P1 C4 C9 158.2(3) . . . . ?
C9 C4 C5 C6 1.3(6) . . . . ?
P1 C4 C5 C6 -176.5(3) . . . . ?
C4 C5 C6 C7 -0.1(6) . . . . ?
C5 C6 C7 C8 -1.4(7) . . . . ?
C6 C7 C8 C9 1.6(7) . . . . ?
C7 C8 C9 C4 -0.4(7) . . . . ?
C5 C4 C9 C8 -1.0(6) . . . . ?
P1 C4 C9 C8 176.6(3) . . . . ?
C4 P1 C10 C11 -4.2(4) . . . . ?
C1 P1 C10 C11 -107.7(3) . . . . ?
Ru1 P1 C10 C11 129.7(3) . . . . ?
C4 P1 C10 C15 171.3(3) . . . . ?
C1 P1 C10 C15 67.7(3) . . . . ?
Ru1 P1 C10 C15 -54.8(3) . . . . ?
C15 C10 C11 C12 0.6(6) . . . . ?
P1 C10 C11 C12 176.0(3) . . . . ?
C10 C11 C12 C13 -0.7(6) . . . . ?
C11 C12 C13 C14 0.4(7) . . . . ?
C12 C13 C14 C15 0.1(7) . . . . ?
C13 C14 C15 C10 -0.2(7) . . . . ?
C11 C10 C15 C14 -0.1(6) . . . . ?
P1 C10 C15 C14 -175.8(3) . . . . ?
C3 P2 C16 C21 143.8(3) . . . . ?
C22 P2 C16 C21 -119.0(3) . . . . ?
Ru1 P2 C16 C21 17.1(4) . . . . ?
C3 P2 C16 C17 -34.9(4) . . . . ?
C22 P2 C16 C17 62.3(4) . . . . ?
Ru1 P2 C16 C17 -161.5(3) . . . . ?
C21 C16 C17 C18 -0.4(7) . . . . ?
P2 C16 C17 C18 178.3(4) . . . . ?
C16 C17 C18 C19 0.5(9) . . . . ?
C17 C18 C19 C20 0.2(9) . . . . ?
C18 C19 C20 C21 -1.1(9) . . . . ?
C17 C16 C21 C20 -0.4(6) . . . . ?
P2 C16 C21 C20 -179.1(4) . . . . ?
C19 C20 C21 C16 1.2(8) . . . . ?
C16 P2 C22 C27 8.7(4) . . . . ?
C3 P2 C22 C27 111.0(3) . . . . ?
Ru1 P2 C22 C27 -126.7(3) . . . . ?
C16 P2 C22 C23 -166.1(3) . . . . ?
C3 P2 C22 C23 -63.8(3) . . . . ?
Ru1 P2 C22 C23 58.4(3) . . . . ?
C27 C22 C23 C24 1.4(6) . . . . ?
P2 C22 C23 C24 176.5(3) . . . . ?
C22 C23 C24 C25 -1.4(7) . . . . ?
C23 C24 C25 C26 1.1(7) . . . . ?
C24 C25 C26 C27 -0.8(7) . . . . ?
C23 C22 C27 C26 -1.0(6) . . . . ?
P2 C22 C27 C26 -175.8(3) . . . . ?
C25 C26 C27 C22 0.8(7) . . . . ?
C29 C28 O1 C31 22.2(19) . . . . ?
C32 C28 O1 C31 -38.3(13) . . . . ?
C33 C31 O1 C28 36(2) . . . . ?
C30 C31 O1 C28 -6.3(19) . . . . ?
O1 C28 C29 C30 -27(2) . . . . ?
C32 C28 C29 C30 56.6(16) . . . . ?
C33 C31 C30 C29 -117(3) . . . . ?
O1 C31 C30 C29 -10(2) . . . . ?
C28 C29 C30 C31 22(2) . . . . ?
O1 C28 C32 C33 33.3(18) . . . . ?
C29 C28 C32 C33 -78.1(15) . . . . ?
C30 C31 C33 C32 78(2) . . . . ?
O1 C31 C33 C32 -11(2) . . . . ?
C28 C32 C33 C31 -15(3) . . . . ?
