#------------------------------------------------------------------------------
#$Date: 2016-03-24 17:11:17 +0200 (Thu, 24 Mar 2016) $
#$Revision: 179680 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/02/7000258.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_7000258
loop_
_publ_author_name
'Gracia, Raquel'
'Adams, Harry'
'Patmore, Nathan J.'
_publ_section_title
;
 Relationship between metal--metal bond length and internal rotation in
 diruthenium tetracarboxylate paddlewheel complexes
;
_journal_issue                   2
_journal_name_full               'Dalton Transactions'
_journal_page_first              259
_journal_page_last               261
_journal_paper_doi               10.1039/b820287g
_journal_year                    2009
_chemical_formula_moiety         'C72 H108 O10 Ru2, F6 P'
_chemical_formula_sum            'C72 H108 F6 O10 P Ru2'
_chemical_formula_weight         1480.69
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 117.629(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.8308(9)
_cell_length_b                   25.3963(13)
_cell_length_c                   18.4580(9)
_cell_measurement_reflns_used    25321
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      54.960
_cell_measurement_theta_min      4.704
_cell_volume                     7405.3(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    'Bruker SHELXTL'
_diffrn_ambient_temperature      120(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0372
_diffrn_reflns_av_sigmaI/netI    0.0316
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            102554
_diffrn_reflns_theta_full        27.59
_diffrn_reflns_theta_max         27.59
_diffrn_reflns_theta_min         1.31
_exptl_absorpt_coefficient_mu    0.498
_exptl_absorpt_correction_T_max  0.9427
_exptl_absorpt_correction_T_min  0.9201
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.328
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3108
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.12
_refine_diff_density_max         2.851
_refine_diff_density_min         -0.749
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     811
_refine_ls_number_reflns         17065
_refine_ls_number_restraints     115
_refine_ls_restrained_S_all      1.027
_refine_ls_R_factor_all          0.0641
_refine_ls_R_factor_gt           0.0435
_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)+(0.0546P)²+12.7900P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1086
_refine_ls_wR_factor_ref         0.1215
_reflns_number_gt                12943
_reflns_number_total             17065
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b820287g.txt
_cod_data_source_block           Compound_1
_cod_original_cell_volume        7405.3(6)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7000258
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
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 0.32562(18) 0.10452(11) 0.68962(17) 0.0207(6) Uani 1 1 d . . .
C2 C 0.23344(18) 0.10114(12) 0.66296(19) 0.0246(6) Uani 1 1 d . . .
C3 C 0.1750(2) 0.12258(14) 0.5869(2) 0.0314(7) Uani 1 1 d . . .
C4 C 0.0887(2) 0.11767(15) 0.5647(2) 0.0393(8) Uani 1 1 d . . .
H4 H 0.0486 0.1316 0.5136 0.047 Uiso 1 1 calc R . .
C5 C 0.0593(2) 0.09334(15) 0.6139(2) 0.0368(8) Uani 1 1 d . . .
C6 C 0.1184(2) 0.07246(14) 0.6874(2) 0.0349(8) Uani 1 1 d . . .
H6 H 0.0989 0.0552 0.7211 0.042 Uiso 1 1 calc R . .
C7 C 0.20526(19) 0.07554(13) 0.7144(2) 0.0280(7) Uani 1 1 d . . .
C8 C 0.2003(2) 0.15095(16) 0.5284(2) 0.0425(9) Uani 1 1 d U . .
H8 H 0.2597 0.1639 0.5609 0.051 Uiso 1 1 calc R . .
C9 C 0.1988(3) 0.1124(2) 0.4641(3) 0.0699(15) Uani 1 1 d U . .
H9A H 0.2152 0.1309 0.4270 0.105 Uiso 1 1 calc R . .
H9B H 0.1415 0.0981 0.4329 0.105 Uiso 1 1 calc R . .
H9C H 0.2386 0.0836 0.4912 0.105 Uiso 1 1 calc R . .
C10 C 0.1434(3) 0.1989(2) 0.4878(3) 0.0751(17) Uani 1 1 d U . .
H10A H 0.1455 0.2230 0.5302 0.113 Uiso 1 1 calc R . .
H10B H 0.0850 0.1870 0.4542 0.113 Uiso 1 1 calc R . .
H10C H 0.1635 0.2171 0.4533 0.113 Uiso 1 1 calc R . .
C11 C -0.0351(2) 0.08701(18) 0.5878(3) 0.0480(10) Uani 1 1 d . . .
H11 H -0.0404 0.0791 0.6383 0.058 Uiso 1 1 calc R . .
C12 C -0.0698(3) 0.0394(2) 0.5315(3) 0.0656(13) Uani 1 1 d . . .
H12A H -0.0350 0.0084 0.5579 0.098 Uiso 1 1 calc R . .
H12B H -0.0684 0.0464 0.4799 0.098 Uiso 1 1 calc R . .
H12C H -0.1283 0.0328 0.5204 0.098 Uiso 1 1 calc R . .
C13 C -0.0862(3) 0.1351(2) 0.5505(3) 0.0617(12) Uani 1 1 d . . .
H13A H -0.1456 0.1282 0.5355 0.093 Uiso 1 1 calc R . .
H13B H -0.0812 0.1447 0.5015 0.093 Uiso 1 1 calc R . .
H13C H -0.0652 0.1641 0.5900 0.093 Uiso 1 1 calc R . .
C14 C 0.2639(2) 0.05250(14) 0.7976(2) 0.0340(8) Uani 1 1 d U . .
H14 H 0.3177 0.0419 0.7970 0.041 Uiso 1 1 calc R . .
C15 C 0.2859(2) 0.09361(19) 0.8651(2) 0.0502(11) Uani 1 1 d U . .
H15A H 0.3239 0.0779 0.9181 0.075 Uiso 1 1 calc R . .
H15B H 0.2340 0.1055 0.8657 0.075 Uiso 1 1 calc R . .
H15C H 0.3140 0.1237 0.8547 0.075 Uiso 1 1 calc R . .
C16 C 0.2276(2) 0.00375(18) 0.8188(3) 0.0529(11) Uani 1 1 d U . .
H16A H 0.2683 -0.0093 0.8729 0.079 Uiso 1 1 calc R . .
H16B H 0.2168 -0.0237 0.7778 0.079 Uiso 1 1 calc R . .
H16C H 0.1745 0.0130 0.8193 0.079 Uiso 1 1 calc R . .
C17 C 0.50036(16) 0.00508(11) 0.74967(16) 0.0183(5) Uani 1 1 d . . .
C18 C 0.50753(18) -0.05320(12) 0.75559(16) 0.0202(6) Uani 1 1 d . . .
C19 C 0.43378(19) -0.08391(12) 0.71666(18) 0.0234(6) Uani 1 1 d . . .
C20 C 0.4418(2) -0.13796(13) 0.7238(2) 0.0324(7) Uani 1 1 d . . .
H20 H 0.3927 -0.1592 0.6963 0.039 Uiso 1 1 calc R . .
C21 C 0.5202(2) -0.16248(14) 0.7704(2) 0.0396(8) Uani 1 1 d . . .
C22 C 0.5920(2) -0.13051(14) 0.8075(2) 0.0348(8) Uani 1 1 d . . .
H22 H 0.6456 -0.1466 0.8385 0.042 Uiso 1 1 calc R . .
C23 C 0.58760(19) -0.07622(12) 0.80085(19) 0.0260(6) Uani 1 1 d . . .
C24 C 0.3482(2) -0.05764(13) 0.66754(19) 0.0288(7) Uani 1 1 d U . .
H24 H 0.3528 -0.0206 0.6875 0.035 Uiso 1 1 calc R . .
C25 C 0.2770(2) -0.08466(15) 0.6782(2) 0.0388(8) Uani 1 1 d U . .
H25A H 0.2236 -0.0661 0.6456 0.058 Uiso 1 1 calc R . .
H25B H 0.2903 -0.0839 0.7360 0.058 Uiso 1 1 calc R . .
H25C H 0.2717 -0.1213 0.6597 0.058 Uiso 1 1 calc R . .
C26 C 0.3259(2) -0.05552(19) 0.5774(2) 0.0514(11) Uani 1 1 d U . .
H26A H 0.2708 -0.0384 0.5466 0.077 Uiso 1 1 calc R . .
H26B H 0.3234 -0.0914 0.5568 0.077 Uiso 1 1 calc R . .
H26C H 0.3692 -0.0354 0.5708 0.077 Uiso 1 1 calc R . .
C27 C 0.5300(3) -0.22172(16) 0.7815(4) 0.0677(14) Uani 1 1 d . . .
H27 H 0.5731 -0.2251 0.8402 0.081 Uiso 1 1 calc R . .
C28 C 0.5736(4) -0.24548(18) 0.7390(4) 0.0718(15) Uani 1 1 d . . .
H28A H 0.6215 -0.2232 0.7463 0.108 Uiso 1 1 calc R . .
H28B H 0.5341 -0.2486 0.6806 0.108 Uiso 1 1 calc R . .
H28C H 0.5943 -0.2805 0.7617 0.108 Uiso 1 1 calc R . .
C29 C 0.4569(3) -0.24979(16) 0.7791(3) 0.0600(12) Uani 1 1 d . . .
H29A H 0.4346 -0.2301 0.8106 0.090 Uiso 1 1 calc R . .
H29B H 0.4744 -0.2850 0.8029 0.090 Uiso 1 1 calc R . .
H29C H 0.4128 -0.2530 0.7223 0.090 Uiso 1 1 calc R . .
C30 C 0.6666(2) -0.04258(14) 0.8428(2) 0.0317(7) Uani 1 1 d U . .
H30 H 0.6517 -0.0060 0.8207 0.038 Uiso 1 1 calc R . .
C31 C 0.7385(2) -0.06219(18) 0.8260(2) 0.0480(10) Uani 1 1 d U . .
H31A H 0.7881 -0.0394 0.8542 0.072 Uiso 1 1 calc R . .
H31B H 0.7199 -0.0613 0.7670 0.072 Uiso 1 1 calc R . .
H31C H 0.7534 -0.0984 0.8460 0.072 Uiso 1 1 calc R . .
C32 C 0.6965(2) -0.04025(17) 0.9346(2) 0.0439(9) Uani 1 1 d U . .
H32A H 0.7475 -0.0184 0.9606 0.066 Uiso 1 1 calc R . .
H32B H 0.7093 -0.0759 0.9574 0.066 Uiso 1 1 calc R . .
H32C H 0.6518 -0.0249 0.9448 0.066 Uiso 1 1 calc R . .
C33 C 0.65520(17) 0.11347(11) 0.79168(17) 0.0184(5) Uani 1 1 d . . .
C34 C 0.74744(17) 0.11706(11) 0.81917(18) 0.0205(6) Uani 1 1 d . . .
C35 C 0.78160(18) 0.09714(12) 0.76898(18) 0.0237(6) Uani 1 1 d . . .
C36 C 0.86896(19) 0.10165(13) 0.7969(2) 0.0275(7) Uani 1 1 d . . .
H36 H 0.8925 0.0875 0.7642 0.033 Uiso 1 1 calc R . .
C37 C 0.92243(18) 0.12583(12) 0.8701(2) 0.0261(6) Uani 1 1 d . . .
C38 C 0.88660(19) 0.14504(12) 0.91742(19) 0.0271(7) Uani 1 1 d . . .
H38 H 0.9228 0.1615 0.9680 0.033 Uiso 1 1 calc R . .
C39 C 0.80099(19) 0.14163(12) 0.89519(18) 0.0245(6) Uani 1 1 d . . .
C40 C 0.72901(19) 0.07312(13) 0.68456(19) 0.0292(7) Uani 1 1 d U . .
H40 H 0.6760 0.0587 0.6827 0.035 Uiso 1 1 calc R . .
C41 C 0.7036(2) 0.11665(16) 0.6200(2) 0.0413(9) Uani 1 1 d U . .
H41A H 0.6697 0.1015 0.5655 0.062 Uiso 1 1 calc R . .
H41B H 0.7546 0.1329 0.6226 0.062 Uiso 1 1 calc R . .
H41C H 0.6702 0.1434 0.6305 0.062 Uiso 1 1 calc R . .
C42 C 0.7730(2) 0.02832(15) 0.6639(2) 0.0413(9) Uani 1 1 d U . .
H42A H 0.7355 0.0149 0.6091 0.062 Uiso 1 1 calc R . .
H42B H 0.7862 -0.0001 0.7039 0.062 Uiso 1 1 calc R . .
H42C H 0.8255 0.0414 0.6655 0.062 Uiso 1 1 calc R . .
C43 C 1.01681(19) 0.13318(13) 0.8995(2) 0.0321(7) Uani 1 1 d . . .
H43 H 1.0290 0.1715 0.9117 0.038 Uiso 1 1 calc R . .
C44 C 1.0690(2) 0.10392(16) 0.9785(2) 0.0454(9) Uani 1 1 d . . .
H44A H 1.1293 0.1097 0.9959 0.068 Uiso 1 1 calc R . .
H44B H 1.0564 0.0662 0.9700 0.068 Uiso 1 1 calc R . .
H44C H 1.0551 0.1169 1.0208 0.068 Uiso 1 1 calc R . .
C45 C 1.0464(2) 0.11892(15) 0.8367(3) 0.0412(9) Uani 1 1 d . . .
H45A H 1.1075 0.1248 0.8603 0.062 Uiso 1 1 calc R . .
H45B H 1.0169 0.1410 0.7880 0.062 Uiso 1 1 calc R . .
H45C H 1.0339 0.0818 0.8215 0.062 Uiso 1 1 calc R . .
C46 C 0.7703(2) 0.16412(13) 0.95344(19) 0.0299(7) Uani 1 1 d U . .
H46 H 0.7102 0.1757 0.9201 0.036 Uiso 1 1 calc R . .
C47 C 0.7721(2) 0.12172(16) 1.0132(2) 0.0422(9) Uani 1 1 d U . .
H47A H 0.7518 0.1367 1.0499 0.063 Uiso 1 1 calc R . .
H47B H 0.8302 0.1090 1.0455 0.063 Uiso 1 1 calc R . .
H47C H 0.7355 0.0923 0.9826 0.063 Uiso 1 1 calc R . .
C48 C 0.8223(2) 0.21218(15) 1.0009(2) 0.0420(9) Uani 1 1 d U . .
H48A H 0.8003 0.2254 1.0371 0.063 Uiso 1 1 calc R . .
H48B H 0.8182 0.2399 0.9622 0.063 Uiso 1 1 calc R . .
H48C H 0.8817 0.2019 1.0335 0.063 Uiso 1 1 calc R . .
C49 C 0.48569(16) 0.21170(11) 0.73351(17) 0.0187(5) Uani 1 1 d . . .
C50 C 0.48608(18) 0.27015(12) 0.72811(17) 0.0222(6) Uani 1 1 d . . .
C51 C 0.54604(19) 0.29429(12) 0.70918(19) 0.0260(6) Uani 1 1 d . . .
C52 C 0.5421(2) 0.34860(12) 0.6992(2) 0.0310(7) Uani 1 1 d . . .
H52 H 0.5824 0.3656 0.6872 0.037 Uiso 1 1 calc R . .
C53 C 0.4808(2) 0.37873(13) 0.7064(2) 0.0303(7) Uani 1 1 d . . .
C54 C 0.4235(2) 0.35344(13) 0.7271(2) 0.0325(7) Uani 1 1 d . . .
H54 H 0.3826 0.3740 0.7337 0.039 Uiso 1 1 calc R . .
C55 C 0.4244(2) 0.29944(12) 0.73828(19) 0.0269(6) Uani 1 1 d . . .
C56 C 0.6155(2) 0.26309(13) 0.7025(2) 0.0339(8) Uani 1 1 d U . .
H56 H 0.6045 0.2248 0.7064 0.041 Uiso 1 1 calc R . .
C57 C 0.6158(4) 0.2719(2) 0.6221(3) 0.0774(17) Uani 1 1 d U . .
H57A H 0.5612 0.2610 0.5773 0.116 Uiso 1 1 calc R . .
H57B H 0.6612 0.2511 0.6204 0.116 Uiso 1 1 calc R . .
H57C H 0.6252 0.3093 0.6162 0.116 Uiso 1 1 calc R . .
C58 C 0.7017(3) 0.2764(2) 0.7734(4) 0.0783(17) Uani 1 1 d U . .
H58A H 0.7457 0.2559 0.7683 0.117 Uiso 1 1 calc R . .
H58B H 0.7020 0.2678 0.8252 0.117 Uiso 1 1 calc R . .
H58C H 0.7131 0.3141 0.7721 0.117 Uiso 1 1 calc R . .
C59 C 0.4763(3) 0.43831(14) 0.6952(2) 0.0397(8) Uani 1 1 d U . .
H59 H 0.4151 0.4483 0.6698 0.048 Uiso 1 1 calc R . .
C60 C 0.5190(3) 0.46464(16) 0.7778(3) 0.0502(10) Uani 1 1 d U . .
H60A H 0.5158 0.5030 0.7706 0.075 Uiso 1 1 calc R . .
H60B H 0.5785 0.4538 0.8064 0.075 Uiso 1 1 calc R . .
H60C H 0.4905 0.4543 0.8100 0.075 Uiso 1 1 calc R . .
C61 C 0.5105(3) 0.45804(15) 0.6392(3) 0.0605(13) Uani 1 1 d U . .
H61A H 0.4812 0.4402 0.5862 0.091 Uiso 1 1 calc R . .
H61B H 0.5713 0.4506 0.6636 0.091 Uiso 1 1 calc R . .
H61C H 0.5012 0.4961 0.6314 0.091 Uiso 1 1 calc R . .
C62 C 0.3607(2) 0.27341(14) 0.7603(2) 0.0343(8) Uani 1 1 d U . .
H62 H 0.3661 0.2344 0.7572 0.041 Uiso 1 1 calc R . .
C63 C 0.3809(3) 0.2875(2) 0.8475(3) 0.0619(13) Uani 1 1 d U . .
H63A H 0.3400 0.2703 0.8614 0.093 Uiso 1 1 calc R . .
H63B H 0.3775 0.3257 0.8523 0.093 Uiso 1 1 calc R . .
H63C H 0.4382 0.2754 0.8851 0.093 Uiso 1 1 calc R . .
C64 C 0.2690(2) 0.2887(2) 0.7019(3) 0.0561(11) Uani 1 1 d U . .
H64A H 0.2561 0.2794 0.6458 0.084 Uiso 1 1 calc R . .
H64B H 0.2619 0.3268 0.7053 0.084 Uiso 1 1 calc R . .
H64C H 0.2306 0.2699 0.7173 0.084 Uiso 1 1 calc R . .
C65 C 0.4387(9) 0.0606(5) 0.4954(8) 0.055(3) Uiso 0.409(7) 1 d P A 1
H65A H 0.3894 0.0420 0.4946 0.066 Uiso 0.409(7) 1 calc PR A 1
H65B H 0.4880 0.0366 0.5197 0.066 Uiso 0.409(7) 1 calc PR A 1
C66 C 0.4208(7) 0.0738(4) 0.4124(7) 0.041(2) Uiso 0.409(7) 1 d P A 1
H66A H 0.4729 0.0729 0.4061 0.049 Uiso 0.409(7) 1 calc PR A 1
H66B H 0.3785 0.0494 0.3724 0.049 Uiso 0.409(7) 1 calc PR A 1
C67 C 0.3904(8) 0.1219(4) 0.4033(7) 0.055 Uiso 0.409(7) 1 d P A 1
H67A H 0.3278 0.1207 0.3733 0.066 Uiso 0.409(7) 1 calc PR A 1
H67B H 0.4106 0.1428 0.3705 0.066 Uiso 0.409(7) 1 calc PR A 1
C68 C 0.4176(7) 0.1479(4) 0.4843(6) 0.036(2) Uiso 0.409(7) 1 d P A 1
H68A H 0.4589 0.1763 0.4928 0.043 Uiso 0.409(7) 1 calc PR A 1
H68B H 0.3684 0.1631 0.4879 0.043 Uiso 0.409(7) 1 calc PR A 1
C65A C 0.4712(5) 0.0623(2) 0.5048(4) 0.0305(14) Uiso 0.591(7) 1 d P A 2
H65C H 0.4352 0.0322 0.5033 0.037 Uiso 0.591(7) 1 calc PR A 2
H65D H 0.5313 0.0514 0.5345 0.037 Uiso 0.591(7) 1 calc PR A 2
C66A C 0.4496(6) 0.0798(4) 0.4203(6) 0.055 Uiso 0.591(7) 1 d P A 2
H66C H 0.4902 0.0647 0.4033 0.066 Uiso 0.591(7) 1 calc PR A 2
H66D H 0.3920 0.0678 0.3814 0.066 Uiso 0.591(7) 1 calc PR A 2
C67A C 0.4538(5) 0.1338(3) 0.4210(5) 0.055 Uiso 0.591(7) 1 d P A 2
H67C H 0.4028 0.1484 0.3743 0.066 Uiso 0.591(7) 1 calc PR A 2
H67D H 0.5042 0.1453 0.4160 0.066 Uiso 0.591(7) 1 calc PR A 2
C68A C 0.4590(6) 0.1527(3) 0.4988(5) 0.0508(19) Uiso 0.591(7) 1 d P A 2
H68C H 0.5125 0.1723 0.5304 0.061 Uiso 0.591(7) 1 calc PR A 2
H68D H 0.4110 0.1765 0.4881 0.061 Uiso 0.591(7) 1 calc PR A 2
C69 C 0.5358(3) 0.07011(17) 0.9890(2) 0.0496(11) Uani 1 1 d D . .
H69A H 0.5920 0.0542 1.0047 0.059 Uiso 0.650(10) 1 calc PR B 3
H69B H 0.4919 0.0431 0.9605 0.059 Uiso 0.650(10) 1 calc PR B 3
H69C H 0.5792 0.0465 0.9875 0.059 Uiso 0.350(10) 1 d PR B 4
H69D H 0.4825 0.0500 0.9704 0.059 Uiso 0.350(10) 1 d PR B 4
C70 C 0.5310(6) 0.0889(3) 1.0620(5) 0.058(2) Uiso 0.650(10) 1 d PD A 3
H70A H 0.4915 0.0667 1.0725 0.069 Uiso 0.650(10) 1 calc PR B 3
H70B H 0.5875 0.0871 1.1104 0.069 Uiso 0.650(10) 1 calc PR B 3
C71 C 0.5014(5) 0.1423(3) 1.0472(4) 0.057(2) Uiso 0.650(10) 1 d PD A 3
H71A H 0.5392 0.1647 1.0937 0.068 Uiso 0.650(10) 1 calc PR B 3
H71B H 0.4438 0.1442 1.0422 0.068 Uiso 0.650(10) 1 calc PR B 3
C72 C 0.5001(5) 0.1619(2) 0.9697(4) 0.0352(14) Uiso 0.650(10) 1 d PD A 3
H72A H 0.4432 0.1752 0.9310 0.042 Uiso 0.650(10) 1 calc PR B 3
H72B H 0.5420 0.1904 0.9814 0.042 Uiso 0.650(10) 1 calc PR B 3
C70A C 0.5642(10) 0.0889(5) 1.0735(7) 0.048(3) Uiso 0.350(10) 1 d PD A 4
H70C H 0.5278 0.0741 1.0958 0.057 Uiso 0.350(10) 1 calc PR B 4
H70D H 0.6234 0.0778 1.1090 0.057 Uiso 0.350(10) 1 calc PR B 4
C71A C 0.5589(10) 0.1398(5) 1.0706(8) 0.060 Uiso 0.350(10) 1 d PD A 4
H71C H 0.6134 0.1556 1.1101 0.072 Uiso 0.350(10) 1 calc PR B 4
H71D H 0.5143 0.1517 1.0846 0.072 Uiso 0.350(10) 1 calc PR B 4
C72A C 0.5378(10) 0.1560(5) 0.9868(7) 0.045(3) Uiso 0.350(10) 1 d PD A 4
H72C H 0.4870 0.1788 0.9652 0.054 Uiso 0.350(10) 1 calc PR B 4
H72D H 0.5852 0.1768 0.9880 0.054 Uiso 0.350(10) 1 calc PR B 4
F1 F 0.33848(16) 0.23420(12) 0.99897(17) 0.0716(8) Uani 1 1 d . . .
F2 F 0.23751(17) 0.29409(11) 0.93285(18) 0.0729(8) Uani 1 1 d . . .
F3 F 0.26859(18) 0.26898(14) 1.06036(17) 0.0818(9) Uani 1 1 d . . .
F4 F 0.2452(2) 0.18584(13) 1.0209(2) 0.1084(13) Uani 1 1 d . . .
F5 F 0.2163(2) 0.21075(14) 0.89280(19) 0.1024(12) Uani 1 1 d . . .
F6 F 0.14434(16) 0.24539(13) 0.95447(18) 0.0801(9) Uani 1 1 d . . .
O1 O 0.37597(12) 0.11348(8) 0.76485(12) 0.0210(4) Uani 1 1 d . A .
O2 O 0.35345(12) 0.09802(8) 0.63757(12) 0.0211(4) Uani 1 1 d . . .
O3 O 0.50177(12) 0.03088(8) 0.80979(11) 0.0187(4) Uani 1 1 d . A .
O4 O 0.49319(12) 0.02775(8) 0.68491(11) 0.0194(4) Uani 1 1 d . . .
O5 O 0.62781(12) 0.10788(8) 0.84392(11) 0.0196(4) Uani 1 1 d . A .
O6 O 0.60381(12) 0.11665(8) 0.71502(11) 0.0196(4) Uani 1 1 d . . .
O7 O 0.50591(12) 0.18983(8) 0.80203(12) 0.0206(4) Uani 1 1 d . A .
O8 O 0.46538(12) 0.18582(8) 0.66791(12) 0.0206(4) Uani 1 1 d . . .
O9 O 0.52272(15) 0.11426(8) 0.93625(13) 0.0284(5) Uani 1 1 d . A .
O10 O 0.45606(15) 0.10668(9) 0.54403(13) 0.0307(5) Uani 1 1 d . . .
P1 P 0.24131(6) 0.23993(4) 0.97691(6) 0.0421(2) Uani 1 1 d . . .
Ru1 Ru 0.502259(13) 0.110441(9) 0.806278(13) 0.01527(6) Uani 1 1 d . . .
Ru2 Ru 0.478672(13) 0.106955(9) 0.675224(12) 0.01556(6) Uani 1 1 d . A .
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'
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'
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
O1 C1 O2 121.2(3) . . ?
O1 C1 C2 118.9(3) . . ?
O2 C1 C2 119.9(3) . . ?
C3 C2 C7 120.9(3) . . ?
C3 C2 C1 120.0(3) . . ?
C7 C2 C1 119.1(3) . . ?
C4 C3 C2 117.4(3) . . ?
C4 C3 C8 118.5(3) . . ?
C2 C3 C8 124.1(3) . . ?
C5 C4 C3 123.0(3) . . ?
C5 C4 H4 118.5 . . ?
C3 C4 H4 118.5 . . ?
C6 C5 C4 117.8(3) . . ?
C6 C5 C11 119.7(3) . . ?
C4 C5 C11 122.4(3) . . ?
C5 C6 C7 123.1(3) . . ?
C5 C6 H6 118.5 . . ?
C7 C6 H6 118.5 . . ?
C6 C7 C2 117.8(3) . . ?
C6 C7 C14 118.1(3) . . ?
C2 C7 C14 124.1(3) . . ?
C9 C8 C3 110.0(3) . . ?
C9 C8 C10 111.0(4) . . ?
C3 C8 C10 111.9(3) . . ?
C9 C8 H8 107.9 . . ?
C3 C8 H8 107.9 . . ?
C10 C8 H8 107.9 . . ?
C8 C9 H9A 109.5 . . ?
C8 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C8 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C8 C10 H10A 109.5 . . ?
C8 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C8 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
C13 C11 C12 111.6(4) . . ?
C13 C11 C5 114.0(4) . . ?
C12 C11 C5 109.7(3) . . ?
C13 C11 H11 107.1 . . ?
C12 C11 H11 107.1 . . ?
C5 C11 H11 107.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
H12A C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
H13A C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
C7 C14 C16 113.3(3) . . ?
C7 C14 C15 110.9(3) . . ?
C16 C14 C15 108.9(3) . . ?
C7 C14 H14 107.9 . . ?
C16 C14 H14 107.9 . . ?
C15 C14 H14 107.9 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
H15A C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
H16A C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 109.5 . . ?
O4 C17 O3 122.3(3) . . ?
O4 C17 C18 119.0(2) . . ?
O3 C17 C18 118.7(2) . . ?
C23 C18 C19 121.7(3) . . ?
C23 C18 C17 119.2(3) . . ?
C19 C18 C17 119.1(3) . . ?
C20 C19 C18 118.2(3) . . ?
C20 C19 C24 121.6(3) . . ?
C18 C19 C24 120.2(3) . . ?
C19 C20 C21 122.0(3) . . ?
C19 C20 H20 119.0 . . ?
C21 C20 H20 119.0 . . ?
C22 C21 C20 117.9(3) . . ?
C22 C21 C27 119.2(4) . . ?
C20 C21 C27 122.9(4) . . ?
C23 C22 C21 122.3(3) . . ?
C23 C22 H22 118.8 . . ?
C21 C22 H22 118.8 . . ?
C22 C23 C18 117.9(3) . . ?
C22 C23 C30 121.0(3) . . ?
C18 C23 C30 121.1(3) . . ?
C26 C24 C19 110.4(3) . . ?
C26 C24 C25 110.1(3) . . ?
C19 C24 C25 112.9(3) . . ?
C26 C24 H24 107.8 . . ?
C19 C24 H24 107.8 . . ?
C25 C24 H24 107.8 . . ?
C24 C25 H25A 109.5 . . ?
C24 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C24 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
C24 C26 H26A 109.5 . . ?
C24 C26 H26B 109.5 . . ?
H26A C26 H26B 109.5 . . ?
C24 C26 H26C 109.5 . . ?
H26A C26 H26C 109.5 . . ?
H26B C26 H26C 109.5 . . ?
C28 C27 C29 117.9(4) . . ?
C28 C27 C21 113.1(4) . . ?
C29 C27 C21 115.5(4) . . ?
C28 C27 H27 102.4 . . ?
C29 C27 H27 102.4 . . ?
C21 C27 H27 102.4 . . ?
C27 C28 H28A 109.5 . . ?
C27 C28 H28B 109.5 . . ?
H28A C28 H28B 109.5 . . ?
C27 C28 H28C 109.5 . . ?
H28A C28 H28C 109.5 . . ?
H28B C28 H28C 109.5 . . ?
C27 C29 H29A 109.5 . . ?
C27 C29 H29B 109.5 . . ?
H29A C29 H29B 109.5 . . ?
C27 C29 H29C 109.5 . . ?
H29A C29 H29C 109.5 . . ?
H29B C29 H29C 109.5 . . ?
C23 C30 C32 110.7(3) . . ?
C23 C30 C31 112.3(3) . . ?
C32 C30 C31 110.1(3) . . ?
C23 C30 H30 107.9 . . ?
C32 C30 H30 107.9 . . ?
C31 C30 H30 107.9 . . ?
C30 C31 H31A 109.5 . . ?
C30 C31 H31B 109.5 . . ?
H31A C31 H31B 109.5 . . ?
C30 C31 H31C 109.5 . . ?
H31A C31 H31C 109.5 . . ?
H31B C31 H31C 109.5 . . ?
C30 C32 H32A 109.5 . . ?
C30 C32 H32B 109.5 . . ?
H32A C32 H32B 109.5 . . ?
C30 C32 H32C 109.5 . . ?
H32A C32 H32C 109.5 . . ?
H32B C32 H32C 109.5 . . ?
O5 C33 O6 120.9(2) . . ?
O5 C33 C34 120.1(2) . . ?
O6 C33 C34 119.0(2) . . ?
C35 C34 C39 120.4(3) . . ?
C35 C34 C33 120.0(3) . . ?
C39 C34 C33 119.7(2) . . ?
C36 C35 C34 118.2(3) . . ?
C36 C35 C40 117.4(3) . . ?
C34 C35 C40 124.3(3) . . ?
C37 C36 C35 122.7(3) . . ?
C37 C36 H36 118.7 . . ?
C35 C36 H36 118.7 . . ?
C36 C37 C38 117.4(3) . . ?
C36 C37 C43 123.3(3) . . ?
C38 C37 C43 119.3(3) . . ?
C39 C38 C37 123.8(3) . . ?
C39 C38 H38 118.1 . . ?
C37 C38 H38 118.1 . . ?
C38 C39 C34 117.5(3) . . ?
C38 C39 C46 118.3(3) . . ?
C34 C39 C46 124.2(3) . . ?
C35 C40 C42 114.2(3) . . ?
C35 C40 C41 109.0(3) . . ?
C42 C40 C41 110.1(3) . . ?
C35 C40 H40 107.8 . . ?
C42 C40 H40 107.8 . . ?
C41 C40 H40 107.8 . . ?
C40 C41 H41A 109.5 . . ?
C40 C41 H41B 109.5 . . ?
H41A C41 H41B 109.5 . . ?
C40 C41 H41C 109.5 . . ?
H41A C41 H41C 109.5 . . ?
H41B C41 H41C 109.5 . . ?
C40 C42 H42A 109.5 . . ?
C40 C42 H42B 109.5 . . ?
H42A C42 H42B 109.5 . . ?
C40 C42 H42C 109.5 . . ?
H42A C42 H42C 109.5 . . ?
H42B C42 H42C 109.5 . . ?
C44 C43 C37 111.5(3) . . ?
C44 C43 C45 110.0(3) . . ?
C37 C43 C45 114.6(3) . . ?
C44 C43 H43 106.8 . . ?
C37 C43 H43 106.8 . . ?
C45 C43 H43 106.8 . . ?
C43 C44 H44A 109.5 . . ?
C43 C44 H44B 109.5 . . ?
H44A C44 H44B 109.5 . . ?
C43 C44 H44C 109.5 . . ?
H44A C44 H44C 109.5 . . ?
H44B C44 H44C 109.5 . . ?
C43 C45 H45A 109.5 . . ?
C43 C45 H45B 109.5 . . ?
H45A C45 H45B 109.5 . . ?
C43 C45 H45C 109.5 . . ?
H45A C45 H45C 109.5 . . ?
H45B C45 H45C 109.5 . . ?
C39 C46 C47 110.5(3) . . ?
C39 C46 C48 112.3(3) . . ?
C47 C46 C48 110.0(3) . . ?
C39 C46 H46 108.0 . . ?
C47 C46 H46 108.0 . . ?
C48 C46 H46 108.0 . . ?
C46 C47 H47A 109.5 . . ?
C46 C47 H47B 109.5 . . ?
H47A C47 H47B 109.5 . . ?
C46 C47 H47C 109.5 . . ?
H47A C47 H47C 109.5 . . ?
H47B C47 H47C 109.5 . . ?
C46 C48 H48A 109.5 . . ?
C46 C48 H48B 109.5 . . ?
H48A C48 H48B 109.5 . . ?
C46 C48 H48C 109.5 . . ?
H48A C48 H48C 109.5 . . ?
H48B C48 H48C 109.5 . . ?
O7 C49 O8 123.0(3) . . ?
O7 C49 C50 119.7(2) . . ?
O8 C49 C50 117.3(2) . . ?
C51 C50 C55 122.1(3) . . ?
C51 C50 C49 118.6(3) . . ?
C55 C50 C49 119.3(3) . . ?
C52 C51 C50 117.8(3) . . ?
C52 C51 C56 120.0(3) . . ?
C50 C51 C56 122.2(3) . . ?
C53 C52 C51 121.9(3) . . ?
C53 C52 H52 119.0 . . ?
C51 C52 H52 119.0 . . ?
C52 C53 C54 118.6(3) . . ?
C52 C53 C59 121.9(3) . . ?
C54 C53 C59 119.5(3) . . ?
C55 C54 C53 122.3(3) . . ?
C55 C54 H54 118.8 . . ?
C53 C54 H54 118.8 . . ?
C54 C55 C50 117.2(3) . . ?
C54 C55 C62 120.7(3) . . ?
C50 C55 C62 122.0(3) . . ?
C57 C56 C51 112.2(3) . . ?
C57 C56 C58 110.4(4) . . ?
C51 C56 C58 110.5(3) . . ?
C57 C56 H56 107.8 . . ?
C51 C56 H56 107.8 . . ?
C58 C56 H56 107.8 . . ?
C56 C57 H57A 109.5 . . ?
C56 C57 H57B 109.5 . . ?
H57A C57 H57B 109.5 . . ?
C56 C57 H57C 109.5 . . ?
H57A C57 H57C 109.5 . . ?
H57B C57 H57C 109.5 . . ?
C56 C58 H58A 109.5 . . ?
C56 C58 H58B 109.5 . . ?
H58A C58 H58B 109.5 . . ?
C56 C58 H58C 109.5 . . ?
H58A C58 H58C 109.5 . . ?
H58B C58 H58C 109.5 . . ?
C60 C59 C61 111.7(4) . . ?
C60 C59 C53 109.5(3) . . ?
C61 C59 C53 114.2(3) . . ?
C60 C59 H59 107.0 . . ?
C61 C59 H59 107.0 . . ?
C53 C59 H59 107.0 . . ?
C59 C60 H60A 109.5 . . ?
C59 C60 H60B 109.5 . . ?
H60A C60 H60B 109.5 . . ?
C59 C60 H60C 109.5 . . ?
H60A C60 H60C 109.5 . . ?
H60B C60 H60C 109.5 . . ?
C59 C61 H61A 109.5 . . ?
C59 C61 H61B 109.5 . . ?
H61A C61 H61B 109.5 . . ?
C59 C61 H61C 109.5 . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C63 C62 C55 109.9(3) . . ?
C63 C62 C64 109.6(3) . . ?
C55 C62 C64 112.7(3) . . ?
C63 C62 H62 108.1 . . ?
C55 C62 H62 108.1 . . ?
C64 C62 H62 108.1 . . ?
C62 C63 H63A 109.5 . . ?
C62 C63 H63B 109.5 . . ?
H63A C63 H63B 109.5 . . ?
C62 C63 H63C 109.5 . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C62 C64 H64A 109.5 . . ?
C62 C64 H64B 109.5 . . ?
H64A C64 H64B 109.5 . . ?
C62 C64 H64C 109.5 . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
O10 C65 C66 110.6(9) . . ?
O10 C65 H65A 109.5 . . ?
C66 C65 H65A 109.5 . . ?
O10 C65 H65B 109.5 . . ?
C66 C65 H65B 109.5 . . ?
H65A C65 H65B 108.1 . . ?
C67 C66 C65 103.1(10) . . ?
C67 C66 H66A 111.1 . . ?
C65 C66 H66A 111.1 . . ?
C67 C66 H66B 111.1 . . ?
C65 C66 H66B 111.1 . . ?
H66A C66 H66B 109.1 . . ?
C66 C67 C68 111.0(10) . . ?
C66 C67 H67A 109.4 . . ?
C68 C67 H67A 109.4 . . ?
C66 C67 H67B 109.4 . . ?
C68 C67 H67B 109.4 . . ?
H67A C67 H67B 108.0 . . ?
O10 C68 C67 105.3(7) . . ?
O10 C68 H68A 110.7 . . ?
C67 C68 H68A 110.7 . . ?
O10 C68 H68B 110.7 . . ?
C67 C68 H68B 110.7 . . ?
H68A C68 H68B 108.8 . . ?
O10 C65A C66A 106.1(5) . . ?
O10 C65A H65C 110.5 . . ?
C66A C65A H65C 110.5 . . ?
O10 C65A H65D 110.5 . . ?
C66A C65A H65D 110.5 . . ?
H65C C65A H65D 108.7 . . ?
C67A C66A C65A 107.5(7) . . ?
C67A C66A H66C 110.2 . . ?
C65A C66A H66C 110.2 . . ?
C67A C66A H66D 110.2 . . ?
C65A C66A H66D 110.2 . . ?
H66C C66A H66D 108.5 . . ?
C66A C67A C68A 108.3(7) . . ?
C66A C67A H67C 110.0 . . ?
C68A C67A H67C 110.0 . . ?
C66A C67A H67D 110.0 . . ?
C68A C67A H67D 110.0 . . ?
H67C C67A H67D 108.4 . . ?
O10 C68A C67A 107.1(6) . . ?
O10 C68A H68C 110.3 . . ?
C67A C68A H68C 110.3 . . ?
O10 C68A H68D 110.3 . . ?
C67A C68A H68D 110.3 . . ?
H68C C68A H68D 108.6 . . ?
O9 C69 C70 108.0(4) . . ?
O9 C69 C70A 109.4(6) . . ?
O9 C69 H69A 110.1 . . ?
C70 C69 H69A 110.1 . . ?
C70A C69 H69A 90.9 . . ?
O9 C69 H69B 110.1 . . ?
C70 C69 H69B 110.1 . . ?
C70A C69 H69B 125.7 . . ?
H69A C69 H69B 108.4 . . ?
O9 C69 H69C 109.9 . . ?
C70 C69 H69C 127.0 . . ?
C70A C69 H69C 109.6 . . ?
H69B C69 H69C 90.0 . . ?
O9 C69 H69D 110.0 . . ?
C70 C69 H69D 91.7 . . ?
C70A C69 H69D 109.6 . . ?
H69C C69 H69D 108.3 . . ?
C71 C70 C69 107.7(6) . . ?
C71 C70 H70A 110.2 . . ?
C69 C70 H70A 110.2 . . ?
C71 C70 H70B 110.2 . . ?
C69 C70 H70B 110.2 . . ?
H70A C70 H70B 108.5 . . ?
C70 C71 C72 109.7(6) . . ?
C70 C71 H71A 109.7 . . ?
C72 C71 H71A 109.7 . . ?
C70 C71 H71B 109.7 . . ?
C72 C71 H71B 109.7 . . ?
H71A C71 H71B 108.2 . . ?
O9 C72 C71 103.6(4) . . ?
O9 C72 H72A 111.0 . . ?
C71 C72 H72A 111.0 . . ?
O9 C72 H72B 111.0 . . ?
C71 C72 H72B 111.0 . . ?
H72A C72 H72B 109.0 . . ?
C71A C70A C69 107.2(10) . . ?
C71A C70A H70C 110.3 . . ?
C69 C70A H70C 110.3 . . ?
C71A C70A H70D 110.3 . . ?
C69 C70A H70D 110.3 . . ?
H70C C70A H70D 108.5 . . ?
C70A C71A C72A 107.4(11) . . ?
C70A C71A H71C 110.2 . . ?
C72A C71A H71C 110.2 . . ?
C70A C71A H71D 110.2 . . ?
C72A C71A H71D 110.2 . . ?
H71C C71A H71D 108.5 . . ?
O9 C72A C71A 112.3(10) . . ?
O9 C72A H72C 109.2 . . ?
C71A C72A H72C 109.2 . . ?
O9 C72A H72D 109.2 . . ?
C71A C72A H72D 109.2 . . ?
H72C C72A H72D 107.9 . . ?
C1 O1 Ru1 120.27(18) . . ?
C1 O2 Ru2 118.59(18) . . ?
C17 O3 Ru1 118.88(17) . . ?
C17 O4 Ru2 118.88(17) . . ?
C33 O5 Ru1 119.33(17) . . ?
C33 O6 Ru2 119.88(17) . . ?
C49 O7 Ru1 118.39(18) . . ?
C49 O8 Ru2 118.48(18) . . ?
C72A O9 C69 103.1(5) . . ?
C69 O9 C72 110.1(3) . . ?
C72A O9 Ru1 130.5(5) . . ?
C69 O9 Ru1 125.8(2) . . ?
C72 O9 Ru1 122.2(3) . . ?
C65 O10 C68 103.2(6) . . ?
C65A O10 C68 108.6(5) . . ?
C65 O10 C68A 110.9(6) . . ?
C65A O10 C68A 106.1(4) . . ?
C65 O10 Ru2 123.8(5) . . ?
C65A O10 Ru2 124.2(3) . . ?
C68 O10 Ru2 127.0(4) . . ?
C68A O10 Ru2 125.3(3) . . ?
F3 P1 F4 89.1(2) . . ?
F3 P1 F2 90.90(19) . . ?
F4 P1 F2 179.9(2) . . ?
F3 P1 F5 178.44(19) . . ?
F4 P1 F5 91.3(2) . . ?
F2 P1 F5 88.72(19) . . ?
F3 P1 F6 91.11(17) . . ?
F4 P1 F6 89.61(18) . . ?
F2 P1 F6 90.47(16) . . ?
F5 P1 F6 90.41(19) . . ?
F3 P1 F1 89.24(16) . . ?
F4 P1 F1 90.32(18) . . ?
F2 P1 F1 89.60(15) . . ?
F5 P1 F1 89.24(19) . . ?
F6 P1 F1 179.6(2) . . ?
O5 Ru1 O1 178.13(8) . . ?
O5 Ru1 O7 89.71(8) . . ?
O1 Ru1 O7 89.86(8) . . ?
O5 Ru1 O3 88.70(8) . . ?
O1 Ru1 O3 91.70(8) . . ?
O7 Ru1 O3 178.19(8) . . ?
O5 Ru1 O9 91.65(8) . . ?
O1 Ru1 O9 90.17(8) . . ?
O7 Ru1 O9 90.36(8) . . ?
O3 Ru1 O9 90.56(7) . . ?
O5 Ru1 Ru2 89.62(5) . . ?
O1 Ru1 Ru2 88.56(6) . . ?
O7 Ru1 Ru2 89.48(5) . . ?
O3 Ru1 Ru2 89.64(5) . . ?
O9 Ru1 Ru2 178.72(6) . . ?
O8 Ru2 O6 88.79(8) . . ?
O8 Ru2 O2 90.68(8) . . ?
O6 Ru2 O2 178.74(8) . . ?
O8 Ru2 O4 178.92(8) . . ?
O6 Ru2 O4 90.84(8) . . ?
O2 Ru2 O4 89.68(8) . . ?
O8 Ru2 Ru1 89.46(5) . . ?
O6 Ru2 Ru1 88.86(5) . . ?
O2 Ru2 Ru1 90.00(5) . . ?
O4 Ru2 Ru1 89.52(5) . . ?
O8 Ru2 O10 88.52(8) . . ?
O6 Ru2 O10 90.47(8) . . ?
O2 Ru2 O10 90.66(8) . . ?
O4 Ru2 O10 92.49(8) . . ?
Ru1 Ru2 O10 177.88(6) . . ?
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 O1 1.277(3) . ?
C1 O2 1.280(3) . ?
C1 C2 1.484(4) . ?
C2 C3 1.412(4) . ?
C2 C7 1.420(4) . ?
C3 C4 1.402(5) . ?
C3 C8 1.530(5) . ?
C4 C5 1.387(5) . ?
C4 H4 0.9500 . ?
C5 C6 1.381(5) . ?
C5 C11 1.530(5) . ?
C6 C7 1.392(4) . ?
C6 H6 0.9500 . ?
C7 C14 1.519(4) . ?
C8 C9 1.528(6) . ?
C8 C10 1.538(6) . ?
C8 H8 1.0000 . ?
C9 H9A 0.9800 . ?
C9 H9B 0.9800 . ?
C9 H9C 0.9800 . ?
C10 H10A 0.9800 . ?
C10 H10B 0.9800 . ?
C10 H10C 0.9800 . ?
C11 C13 1.487(6) . ?
C11 C12 1.526(6) . ?
C11 H11 1.0000 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C14 C16 1.530(5) . ?
C14 C15 1.530(5) . ?
C14 H14 1.0000 . ?
C15 H15A 0.9800 . ?
C15 H15B 0.9800 . ?
C15 H15C 0.9800 . ?
C16 H16A 0.9800 . ?
C16 H16B 0.9800 . ?
C16 H16C 0.9800 . ?
C17 O4 1.279(3) . ?
C17 O3 1.279(3) . ?
C17 C18 1.485(4) . ?
C18 C23 1.404(4) . ?
C18 C19 1.406(4) . ?
C19 C20 1.380(4) . ?
C19 C24 1.521(4) . ?
C20 C21 1.403(5) . ?
C20 H20 0.9500 . ?
C21 C22 1.398(5) . ?
C21 C27 1.518(5) . ?
C22 C23 1.383(5) . ?
C22 H22 0.9500 . ?
C23 C30 1.517(4) . ?
C24 C26 1.521(5) . ?
C24 C25 1.533(4) . ?
C24 H24 1.0000 . ?
C25 H25A 0.9800 . ?
C25 H25B 0.9800 . ?
C25 H25C 0.9800 . ?
C26 H26A 0.9800 . ?
C26 H26B 0.9800 . ?
C26 H26C 0.9800 . ?
C27 C28 1.466(6) . ?
C27 C29 1.470(6) . ?
C27 H27 1.0000 . ?
C28 H28A 0.9800 . ?
C28 H28B 0.9800 . ?
C28 H28C 0.9800 . ?
C29 H29A 0.9800 . ?
C29 H29B 0.9800 . ?
C29 H29C 0.9800 . ?
C30 C32 1.523(5) . ?
C30 C31 1.536(5) . ?
C30 H30 1.0000 . ?
C31 H31A 0.9800 . ?
C31 H31B 0.9800 . ?
C31 H31C 0.9800 . ?
C32 H32A 0.9800 . ?
C32 H32B 0.9800 . ?
C32 H32C 0.9800 . ?
C33 O5 1.275(3) . ?
C33 O6 1.283(3) . ?
C33 C34 1.482(4) . ?
C34 C35 1.417(4) . ?
C34 C39 1.424(4) . ?
C35 C36 1.400(4) . ?
C35 C40 1.524(4) . ?
C36 C37 1.385(4) . ?
C36 H36 0.9500 . ?
C37 C38 1.388(4) . ?
C37 C43 1.521(4) . ?
C38 C39 1.387(4) . ?
C38 H38 0.9500 . ?
C39 C46 1.526(4) . ?
C40 C42 1.527(4) . ?
C40 C41 1.532(5) . ?
C40 H40 1.0000 . ?
C41 H41A 0.9800 . ?
C41 H41B 0.9800 . ?
C41 H41C 0.9800 . ?
C42 H42A 0.9800 . ?
C42 H42B 0.9800 . ?
C42 H42C 0.9800 . ?
C43 C44 1.513(5) . ?
C43 C45 1.522(5) . ?
C43 H43 1.0000 . ?
C44 H44A 0.9800 . ?
C44 H44B 0.9800 . ?
C44 H44C 0.9800 . ?
C45 H45A 0.9800 . ?
C45 H45B 0.9800 . ?
C45 H45C 0.9800 . ?
C46 C47 1.531(5) . ?
C46 C48 1.538(5) . ?
C46 H46 1.0000 . ?
C47 H47A 0.9800 . ?
C47 H47B 0.9800 . ?
C47 H47C 0.9800 . ?
C48 H48A 0.9800 . ?
C48 H48B 0.9800 . ?
C48 H48C 0.9800 . ?
C49 O7 1.271(3) . ?
C49 O8 1.274(3) . ?
C49 C50 1.488(4) . ?
C50 C51 1.410(4) . ?
C50 C55 1.411(4) . ?
C51 C52 1.389(4) . ?
C51 C56 1.522(4) . ?
C52 C53 1.389(4) . ?
C52 H52 0.9500 . ?
C53 C54 1.401(5) . ?
C53 C59 1.524(5) . ?
C54 C55 1.386(4) . ?
C54 H54 0.9500 . ?
C55 C62 1.523(4) . ?
C56 C57 1.504(6) . ?
C56 C58 1.525(6) . ?
C56 H56 1.0000 . ?
C57 H57A 0.9800 . ?
C57 H57B 0.9800 . ?
C57 H57C 0.9800 . ?
C58 H58A 0.9800 . ?
C58 H58B 0.9800 . ?
C58 H58C 0.9800 . ?
C59 C60 1.508(5) . ?
C59 C61 1.509(5) . ?
C59 H59 1.0000 . ?
C60 H60A 0.9800 . ?
C60 H60B 0.9800 . ?
C60 H60C 0.9800 . ?
C61 H61A 0.9800 . ?
C61 H61B 0.9800 . ?
C61 H61C 0.9800 . ?
C62 C63 1.520(5) . ?
C62 C64 1.533(5) . ?
C62 H62 1.0000 . ?
C63 H63A 0.9800 . ?
C63 H63B 0.9800 . ?
C63 H63C 0.9800 . ?
C64 H64A 0.9800 . ?
C64 H64B 0.9800 . ?
C64 H64C 0.9800 . ?
C65 O10 1.419(12) . ?
C65 C66 1.452(16) . ?
C65 H65A 0.9900 . ?
C65 H65B 0.9900 . ?
C66 C67 1.314(15) . ?
C66 H66A 0.9900 . ?
C66 H66B 0.9900 . ?
C67 C68 1.494(14) . ?
C67 H67A 0.9900 . ?
C67 H67B 0.9900 . ?
C68 O10 1.442(9) . ?
C68 H68A 0.9900 . ?
C68 H68B 0.9900 . ?
C65A O10 1.431(6) . ?
C65A C66A 1.491(11) . ?
C65A H65C 0.9900 . ?
C65A H65D 0.9900 . ?
C66A C67A 1.373(12) . ?
C66A H66C 0.9900 . ?
C66A H66D 0.9900 . ?
C67A C68A 1.475(10) . ?
C67A H67C 0.9900 . ?
C67A H67D 0.9900 . ?
C68A O10 1.453(8) . ?
C68A H68C 0.9900 . ?
C68A H68D 0.9900 . ?
C69 O9 1.431(4) . ?
C69 C70 1.470(8) . ?
C69 C70A 1.478(11) . ?
C69 H69A 0.9900 . ?
C69 H69B 0.9900 . ?
C69 H69C 0.9900 . ?
C69 H69D 0.9900 . ?
C70 C71 1.434(9) . ?
C70 H70A 0.9900 . ?
C70 H70B 0.9900 . ?
C71 C72 1.504(8) . ?
C71 H71A 0.9900 . ?
C71 H71B 0.9900 . ?
C72 O9 1.497(6) . ?
C72 H72A 0.9900 . ?
C72 H72B 0.9900 . ?
C70A C71A 1.296(13) . ?
C70A H70C 0.9900 . ?
C70A H70D 0.9900 . ?
C71A C72A 1.471(12) . ?
C71A H71C 0.9900 . ?
C71A H71D 0.9900 . ?
C72A O9 1.354(12) . ?
C72A H72C 0.9900 . ?
C72A H72D 0.9900 . ?
F1 P1 1.592(3) . ?
F2 P1 1.583(3) . ?
F3 P1 1.568(3) . ?
F4 P1 1.581(3) . ?
F5 P1 1.586(3) . ?
F6 P1 1.586(3) . ?
O1 Ru1 2.0161(19) . ?
O2 Ru2 2.0201(19) . ?
O3 Ru1 2.0216(19) . ?
O4 Ru2 2.025(2) . ?
O5 Ru1 2.0139(19) . ?
O6 Ru2 2.0147(19) . ?
O7 Ru1 2.020(2) . ?
O8 Ru2 2.0139(19) . ?
O9 Ru1 2.255(2) . ?
O10 Ru2 2.263(2) . ?
Ru1 Ru2 2.2567(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
O1 C1 C2 C3 141.5(3) . . . . ?
O2 C1 C2 C3 -39.2(4) . . . . ?
O1 C1 C2 C7 -39.4(4) . . . . ?
O2 C1 C2 C7 140.0(3) . . . . ?
C7 C2 C3 C4 0.2(5) . . . . ?
C1 C2 C3 C4 179.3(3) . . . . ?
C7 C2 C3 C8 179.7(3) . . . . ?
C1 C2 C3 C8 -1.2(5) . . . . ?
C2 C3 C4 C5 0.4(6) . . . . ?
C8 C3 C4 C5 -179.1(4) . . . . ?
C3 C4 C5 C6 -1.0(6) . . . . ?
C3 C4 C5 C11 -178.4(4) . . . . ?
C4 C5 C6 C7 1.0(6) . . . . ?
C11 C5 C6 C7 178.4(4) . . . . ?
C5 C6 C7 C2 -0.4(5) . . . . ?
C5 C6 C7 C14 178.2(3) . . . . ?
C3 C2 C7 C6 -0.2(5) . . . . ?
C1 C2 C7 C6 -179.3(3) . . . . ?
C3 C2 C7 C14 -178.7(3) . . . . ?
C1 C2 C7 C14 2.2(5) . . . . ?
C4 C3 C8 C9 -85.2(4) . . . . ?
C2 C3 C8 C9 95.4(4) . . . . ?
C4 C3 C8 C10 38.7(5) . . . . ?
C2 C3 C8 C10 -140.8(4) . . . . ?
C6 C5 C11 C13 138.3(4) . . . . ?
C4 C5 C11 C13 -44.4(6) . . . . ?
C6 C5 C11 C12 -95.7(5) . . . . ?
C4 C5 C11 C12 81.6(5) . . . . ?
C6 C7 C14 C16 33.9(5) . . . . ?
C2 C7 C14 C16 -147.6(3) . . . . ?
C6 C7 C14 C15 -88.9(4) . . . . ?
C2 C7 C14 C15 89.6(4) . . . . ?
O4 C17 C18 C23 100.6(3) . . . . ?
O3 C17 C18 C23 -79.3(3) . . . . ?
O4 C17 C18 C19 -80.3(3) . . . . ?
O3 C17 C18 C19 99.9(3) . . . . ?
C23 C18 C19 C20 -0.1(4) . . . . ?
C17 C18 C19 C20 -179.2(3) . . . . ?
C23 C18 C19 C24 -179.5(3) . . . . ?
C17 C18 C19 C24 1.4(4) . . . . ?
C18 C19 C20 C21 2.1(5) . . . . ?
C24 C19 C20 C21 -178.6(3) . . . . ?
C19 C20 C21 C22 -2.5(5) . . . . ?
C19 C20 C21 C27 177.8(4) . . . . ?
C20 C21 C22 C23 1.1(5) . . . . ?
C27 C21 C22 C23 -179.2(4) . . . . ?
C21 C22 C23 C18 0.7(5) . . . . ?
C21 C22 C23 C30 179.2(3) . . . . ?
C19 C18 C23 C22 -1.2(4) . . . . ?
C17 C18 C23 C22 177.9(3) . . . . ?
C19 C18 C23 C30 -179.7(3) . . . . ?
C17 C18 C23 C30 -0.6(4) . . . . ?
C20 C19 C24 C26 -84.2(4) . . . . ?
C18 C19 C24 C26 95.1(3) . . . . ?
C20 C19 C24 C25 39.5(4) . . . . ?
C18 C19 C24 C25 -141.2(3) . . . . ?
C22 C21 C27 C28 -69.5(6) . . . . ?
C20 C21 C27 C28 110.2(5) . . . . ?
C22 C21 C27 C29 150.3(4) . . . . ?
C20 C21 C27 C29 -30.0(7) . . . . ?
C22 C23 C30 C32 -74.2(4) . . . . ?
C18 C23 C30 C32 104.3(3) . . . . ?
C22 C23 C30 C31 49.2(4) . . . . ?
C18 C23 C30 C31 -132.3(3) . . . . ?
O5 C33 C34 C35 148.0(3) . . . . ?
O6 C33 C34 C35 -32.7(4) . . . . ?
O5 C33 C34 C39 -33.4(4) . . . . ?
O6 C33 C34 C39 145.8(3) . . . . ?
C39 C34 C35 C36 0.9(4) . . . . ?
C33 C34 C35 C36 179.5(3) . . . . ?
C39 C34 C35 C40 -176.3(3) . . . . ?
C33 C34 C35 C40 2.3(4) . . . . ?
C34 C35 C36 C37 -1.7(5) . . . . ?
C40 C35 C36 C37 175.8(3) . . . . ?
C35 C36 C37 C38 1.4(5) . . . . ?
C35 C36 C37 C43 -177.2(3) . . . . ?
C36 C37 C38 C39 -0.4(5) . . . . ?
C43 C37 C38 C39 178.2(3) . . . . ?
C37 C38 C39 C34 -0.2(5) . . . . ?
C37 C38 C39 C46 179.6(3) . . . . ?
C35 C34 C39 C38 -0.1(4) . . . . ?
C33 C34 C39 C38 -178.6(3) . . . . ?
C35 C34 C39 C46 -179.8(3) . . . . ?
C33 C34 C39 C46 1.6(5) . . . . ?
C36 C35 C40 C42 36.8(4) . . . . ?
C34 C35 C40 C42 -145.9(3) . . . . ?
C36 C35 C40 C41 -86.9(3) . . . . ?
C34 C35 C40 C41 90.4(4) . . . . ?
C36 C37 C43 C44 -117.5(4) . . . . ?
C38 C37 C43 C44 63.9(4) . . . . ?
C36 C37 C43 C45 8.3(5) . . . . ?
C38 C37 C43 C45 -170.3(3) . . . . ?
C38 C39 C46 C47 -90.8(3) . . . . ?
C34 C39 C46 C47 88.9(4) . . . . ?
C38 C39 C46 C48 32.4(4) . . . . ?
C34 C39 C46 C48 -147.8(3) . . . . ?
O7 C49 C50 C51 113.3(3) . . . . ?
O8 C49 C50 C51 -66.0(4) . . . . ?
O7 C49 C50 C55 -69.5(4) . . . . ?
O8 C49 C50 C55 111.1(3) . . . . ?
C55 C50 C51 C52 -1.0(5) . . . . ?
C49 C50 C51 C52 176.0(3) . . . . ?
C55 C50 C51 C56 176.8(3) . . . . ?
C49 C50 C51 C56 -6.2(5) . . . . ?
C50 C51 C52 C53 -0.8(5) . . . . ?
C56 C51 C52 C53 -178.7(3) . . . . ?
C51 C52 C53 C54 2.2(5) . . . . ?
C51 C52 C53 C59 -179.8(3) . . . . ?
C52 C53 C54 C55 -1.8(5) . . . . ?
C59 C53 C54 C55 -179.9(3) . . . . ?
C53 C54 C55 C50 0.1(5) . . . . ?
C53 C54 C55 C62 -179.7(3) . . . . ?
C51 C50 C55 C54 1.4(5) . . . . ?
C49 C50 C55 C54 -175.6(3) . . . . ?
C51 C50 C55 C62 -178.8(3) . . . . ?
C49 C50 C55 C62 4.2(4) . . . . ?
C52 C51 C56 C57 -56.4(5) . . . . ?
C50 C51 C56 C57 125.8(4) . . . . ?
C52 C51 C56 C58 67.3(5) . . . . ?
C50 C51 C56 C58 -110.4(4) . . . . ?
C52 C53 C59 C60 -98.2(4) . . . . ?
C54 C53 C59 C60 79.8(4) . . . . ?
C52 C53 C59 C61 27.9(5) . . . . ?
C54 C53 C59 C61 -154.1(4) . . . . ?
C54 C55 C62 C63 -70.6(4) . . . . ?
C50 C55 C62 C63 109.6(4) . . . . ?
C54 C55 C62 C64 52.0(5) . . . . ?
C50 C55 C62 C64 -127.7(4) . . . . ?
O10 C65 C66 C67 -27.4(13) . . . . ?
C65 C66 C67 C68 21.7(12) . . . . ?
C66 C67 C68 O10 -9.6(12) . . . . ?
O10 C65A C66A C67A 21.5(9) . . . . ?
C65A C66A C67A C68A -12.3(10) . . . . ?
C66A C67A C68A O10 -1.1(9) . . . . ?
O9 C69 C70 C71 9.3(8) . . . . ?
C70A C69 C70 C71 107(2) . . . . ?
C69 C70 C71 C72 -9.2(9) . . . . ?
C70 C71 C72 O9 5.5(8) . . . . ?
O9 C69 C70A C71A 7.1(14) . . . . ?
C70 C69 C70A C71A -83(2) . . . . ?
C69 C70A C71A C72A -7.3(16) . . . . ?
C70A C71A C72A O9 5.6(17) . . . . ?
O2 C1 O1 Ru1 -6.2(4) . . . . ?
C2 C1 O1 Ru1 173.21(19) . . . . ?
O1 C1 O2 Ru2 -4.0(4) . . . . ?
C2 C1 O2 Ru2 176.6(2) . . . . ?
O4 C17 O3 Ru1 -5.1(3) . . . . ?
C18 C17 O3 Ru1 174.76(18) . . . . ?
O3 C17 O4 Ru2 -2.6(3) . . . . ?
C18 C17 O4 Ru2 177.56(18) . . . . ?
O6 C33 O5 Ru1 -5.3(3) . . . . ?
C34 C33 O5 Ru1 173.87(19) . . . . ?
O5 C33 O6 Ru2 -4.9(3) . . . . ?
C34 C33 O6 Ru2 175.83(19) . . . . ?
O8 C49 O7 Ru1 -1.9(3) . . . . ?
C50 C49 O7 Ru1 178.78(18) . . . . ?
O7 C49 O8 Ru2 -7.2(3) . . . . ?
C50 C49 O8 Ru2 172.16(18) . . . . ?
C71A C72A O9 C69 -1.0(12) . . . . ?
C71A C72A O9 C72 108.9(19) . . . . ?
C71A C72A O9 Ru1 -172.1(7) . . . . ?
C70 C69 O9 C72A 18.4(8) . . . . ?
C70A C69 O9 C72A -3.4(9) . . . . ?
C70 C69 O9 C72 -5.9(6) . . . . ?
C70A C69 O9 C72 -27.7(8) . . . . ?
C70 C69 O9 Ru1 -169.9(4) . . . . ?
C70A C69 O9 Ru1 168.3(7) . . . . ?
C71 C72 O9 C72A -76.8(14) . . . . ?
C71 C72 O9 C69 0.4(6) . . . . ?
C71 C72 O9 Ru1 165.1(4) . . . . ?
C66 C65 O10 C65A -86.3(19) . . . . ?
C66 C65 O10 C68 21.2(11) . . . . ?
C66 C65 O10 C68A -5.6(12) . . . . ?
C66 C65 O10 Ru2 175.6(6) . . . . ?
C66A C65A O10 C65 84.7(18) . . . . ?
C66A C65A O10 C68 6.3(8) . . . . ?
C66A C65A O10 C68A -21.6(7) . . . . ?
C66A C65A O10 Ru2 -178.9(4) . . . . ?
C67 C68 O10 C65 -7.5(10) . . . . ?
C67 C68 O10 C65A 13.9(9) . . . . ?
C67 C68 O10 C68A 102.9(14) . . . . ?
C67 C68 O10 Ru2 -160.7(5) . . . . ?
C67A C68A O10 C65 -7.3(10) . . . . ?
C67A C68A O10 C65A 14.5(8) . . . . ?
C67A C68A O10 C68 -84.9(13) . . . . ?
C67A C68A O10 Ru2 171.5(4) . . . . ?
C33 O5 Ru1 O7 -78.9(2) . . . . ?
C33 O5 Ru1 O3 100.3(2) . . . . ?
C33 O5 Ru1 O9 -169.2(2) . . . . ?
C33 O5 Ru1 Ru2 10.62(19) . . . . ?
C1 O1 Ru1 O7 100.4(2) . . . . ?
C1 O1 Ru1 O3 -78.7(2) . . . . ?
C1 O1 Ru1 O9 -169.2(2) . . . . ?
C1 O1 Ru1 Ru2 10.9(2) . . . . ?
C49 O7 Ru1 O5 97.64(19) . . . . ?
C49 O7 Ru1 O1 -80.54(19) . . . . ?
C49 O7 Ru1 O9 -170.71(19) . . . . ?
C49 O7 Ru1 Ru2 8.02(18) . . . . ?
C17 O3 Ru1 O5 -81.14(19) . . . . ?
C17 O3 Ru1 O1 97.03(19) . . . . ?
C17 O3 Ru1 O9 -172.78(19) . . . . ?
C17 O3 Ru1 Ru2 8.49(18) . . . . ?
C72A O9 Ru1 O5 85.1(9) . . . . ?
C69 O9 Ru1 O5 -84.2(3) . . . . ?
C72 O9 Ru1 O5 113.5(3) . . . . ?
C72A O9 Ru1 O1 -94.5(9) . . . . ?
C69 O9 Ru1 O1 96.2(3) . . . . ?
C72 O9 Ru1 O1 -66.0(3) . . . . ?
C72A O9 Ru1 O7 -4.6(9) . . . . ?
C69 O9 Ru1 O7 -174.0(3) . . . . ?
C72 O9 Ru1 O7 23.8(3) . . . . ?
C72A O9 Ru1 O3 173.8(9) . . . . ?
C69 O9 Ru1 O3 4.5(3) . . . . ?
C72 O9 Ru1 O3 -157.8(3) . . . . ?
C49 O8 Ru2 O6 -78.31(19) . . . . ?
C49 O8 Ru2 O2 100.55(19) . . . . ?
C49 O8 Ru2 Ru1 10.56(18) . . . . ?
C49 O8 Ru2 O10 -168.81(19) . . . . ?
C33 O6 Ru2 O8 99.9(2) . . . . ?
C33 O6 Ru2 O4 -79.1(2) . . . . ?
C33 O6 Ru2 Ru1 10.41(19) . . . . ?
C33 O6 Ru2 O10 -171.6(2) . . . . ?
C1 O2 Ru2 O8 -79.6(2) . . . . ?
C1 O2 Ru2 O4 99.4(2) . . . . ?
C1 O2 Ru2 Ru1 9.8(2) . . . . ?
C1 O2 Ru2 O10 -168.2(2) . . . . ?
C17 O4 Ru2 O6 96.13(19) . . . . ?
C17 O4 Ru2 O2 -82.73(19) . . . . ?
C17 O4 Ru2 Ru1 7.28(18) . . . . ?
C17 O4 Ru2 O10 -173.37(19) . . . . ?
O5 Ru1 Ru2 O8 -97.62(8) . . . . ?
O1 Ru1 Ru2 O8 81.97(8) . . . . ?
O7 Ru1 Ru2 O8 -7.91(8) . . . . ?
O3 Ru1 Ru2 O8 173.68(8) . . . . ?
O5 Ru1 Ru2 O6 -8.82(8) . . . . ?
O1 Ru1 Ru2 O6 170.76(8) . . . . ?
O7 Ru1 Ru2 O6 80.89(8) . . . . ?
O3 Ru1 Ru2 O6 -97.52(8) . . . . ?
O5 Ru1 Ru2 O2 171.71(8) . . . . ?
O1 Ru1 Ru2 O2 -8.71(8) . . . . ?
O7 Ru1 Ru2 O2 -98.58(8) . . . . ?
O3 Ru1 Ru2 O2 83.00(8) . . . . ?
O5 Ru1 Ru2 O4 82.03(8) . . . . ?
O1 Ru1 Ru2 O4 -98.39(8) . . . . ?
O7 Ru1 Ru2 O4 171.74(8) . . . . ?
O3 Ru1 Ru2 O4 -6.68(8) . . . . ?
C65 O10 Ru2 O8 -166.8(7) . . . . ?
C65A O10 Ru2 O8 167.6(4) . . . . ?
C68 O10 Ru2 O8 -18.6(6) . . . . ?
C68A O10 Ru2 O8 14.6(5) . . . . ?
C65 O10 Ru2 O6 104.5(7) . . . . ?
C65A O10 Ru2 O6 78.8(4) . . . . ?
C68 O10 Ru2 O6 -107.4(6) . . . . ?
C68A O10 Ru2 O6 -74.2(5) . . . . ?
C65 O10 Ru2 O2 -76.1(7) . . . . ?
C65A O10 Ru2 O2 -101.8(4) . . . . ?
C68 O10 Ru2 O2 72.1(6) . . . . ?
C68A O10 Ru2 O2 105.3(5) . . . . ?
C65 O10 Ru2 O4 13.6(7) . . . . ?
C65A O10 Ru2 O4 -12.1(4) . . . . ?
C68 O10 Ru2 O4 161.8(6) . . . . ?
C68A O10 Ru2 O4 -165.0(5) . . . . ?
