#------------------------------------------------------------------------------
#$Date: 2016-03-26 14:58:14 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180282 $
#$URL: svn://www.crystallography.net/cod/cif/7/11/68/7116898.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_7116898
loop_
_publ_author_name
'Chia-Hsiang Chen'
'Amineh Aghabali'
'Catalina Suarez'
'Marilyn M. Olmstead'
'Alan L. Balch'
'Luis Echegoyen'
_publ_section_title
;
 Synthesis and characterization of bis-triruthenium cluster derivatives of
 an all equatorial [60]fullerene tetramalonate
;
_journal_name_full               Chem.Commun.
_journal_page_first              6489
_journal_paper_doi               10.1039/C4cc10397A
_journal_volume                  51
_journal_year                    2015
_chemical_formula_moiety         'C97 H40 O25 Ru3'
_chemical_formula_sum            'C97 H40 O25 Ru3'
_chemical_formula_weight         1908.50
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014
_audit_update_record
;
2014-12-16 deposited with the CCDC.
2015-01-20 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.787(2)
_cell_angle_gamma                90
_cell_formula_units_Z            8
_cell_length_a                   22.5380(11)
_cell_length_b                   34.0435(15)
_cell_length_c                   18.4298(8)
_cell_measurement_reflns_used    9768
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      20.332
_cell_measurement_theta_min      2.337
_cell_volume                     14124.0(11)
_computing_cell_refinement       'SAINT (Bruker, 2013)'
_computing_data_collection       'Apex2 (Bruker, 2013)'
_computing_data_reduction        'SAINT (Bruker, 2013)'
_computing_publication_material  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXT (Sheldrick, 2012)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 10.42
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker D8 with PHOTON 100 CMOS detector'
_diffrn_measurement_method       ω/φ
_diffrn_radiation_type           synchrotron
_diffrn_radiation_wavelength     0.8266
_diffrn_reflns_av_R_equivalents  0.0692
_diffrn_reflns_av_unetI/netI     0.0262
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       44
_diffrn_reflns_limit_k_min       -44
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            443665
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        29.733
_diffrn_reflns_theta_max         32.943
_diffrn_reflns_theta_min         1.895
_diffrn_source
'Advanced Light Source, Beamline 11.3.1                       '
_exptl_absorpt_coefficient_mu    1.074
_exptl_absorpt_correction_T_max  0.7466
_exptl_absorpt_correction_T_min  0.6909
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2012)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_description       plate
_exptl_crystal_F_000             7632
_exptl_crystal_size_max          0.066
_exptl_crystal_size_mid          0.042
_exptl_crystal_size_min          0.009
_refine_diff_density_max         1.987
_refine_diff_density_min         -1.352
_refine_diff_density_rms         0.091
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.019
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     2267
_refine_ls_number_reflns         33679
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.019
_refine_ls_R_factor_all          0.0433
_refine_ls_R_factor_gt           0.0322
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0379P)²+27.9303P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0786
_refine_ls_wR_factor_ref         0.0839
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                28087
_reflns_number_total             33679
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c4cc10397a2.cif
_cod_data_source_block           mn2209
_cod_database_code               7116898
#BEGIN Tags that were not found in dictionaries:
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_min   0.932
_shelx_estimated_absorpt_t_max   0.990
_shelxl_version_number           2014-3
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.17846(2) 0.78985(2) 0.41162(2) 0.01098(4) Uani 1 1 d . . . . .
Ru2 Ru 0.09748(2) 0.74150(2) 0.32306(2) 0.01182(4) Uani 1 1 d . . . . .
Ru3 Ru 0.06776(2) 0.76411(2) 0.46618(2) 0.01169(4) Uani 1 1 d . . . . .
Ru4 Ru 0.46160(2) 0.71119(2) 0.07921(2) 0.01324(4) Uani 1 1 d . . . . .
Ru5 Ru 0.42023(2) 0.74444(2) 0.21076(2) 0.01380(4) Uani 1 1 d . . . . .
Ru6 Ru 0.34906(2) 0.68693(2) 0.13386(2) 0.01262(4) Uani 1 1 d . . . . .
O1 O 0.00494(8) 0.86035(6) -0.04734(10) 0.0220(4) Uani 1 1 d . . . . .
O2 O -0.05939(9) 0.91090(6) -0.06023(10) 0.0221(4) Uani 1 1 d . . . . .
O3 O -0.17467(9) 0.85069(7) 0.05665(11) 0.0307(5) Uani 1 1 d . . . . .
O4 O -0.13855(8) 0.84317(6) -0.05432(10) 0.0176(4) Uani 1 1 d . . . . .
O5 O -0.16558(8) 0.78782(6) 0.41444(12) 0.0235(4) Uani 1 1 d . . . . .
O6 O -0.25708(8) 0.81389(6) 0.41829(11) 0.0186(4) Uani 1 1 d . . . . .
O7 O -0.26081(8) 0.89712(6) 0.34144(10) 0.0221(4) Uani 1 1 d . . . . .
O8 O -0.23663(8) 0.89791(6) 0.46139(10) 0.0206(4) Uani 1 1 d . . . . .
O9 O 0.02089(8) 0.92803(6) 0.62364(10) 0.0201(4) Uani 1 1 d . . . . .
O10 O 0.09397(10) 0.88284(6) 0.63591(11) 0.0280(5) Uani 1 1 d . . . . .
O11 O 0.19469(10) 0.94223(9) 0.50614(13) 0.0421(7) Uani 1 1 d . . . . .
O12 O 0.16510(9) 0.95118(8) 0.61769(12) 0.0347(6) Uani 1 1 d . . . . .
O13 O 0.25067(8) 0.87731(6) 0.17533(11) 0.0210(4) Uani 1 1 d . . . . .
O14 O 0.29129(9) 0.93395(6) 0.13695(13) 0.0298(5) Uani 1 1 d . . . . .
O15 O 0.22748(8) 1.00435(6) 0.21114(10) 0.0190(4) Uani 1 1 d . . . . .
O16 O 0.18991(8) 0.98981(5) 0.09876(9) 0.0152(4) Uani 1 1 d . . . . .
O17 O 0.19144(9) 0.82272(7) 0.56559(11) 0.0250(4) Uani 1 1 d . . . . .
O18 O 0.28839(9) 0.83061(7) 0.35656(12) 0.0280(5) Uani 1 1 d . . . . .
O19 O 0.17290(13) 0.73580(7) 0.18977(14) 0.0450(7) Uani 1 1 d . . . . .
O20 O -0.01404(10) 0.69805(7) 0.26883(15) 0.0384(6) Uani 1 1 d . . . . .
O21 O -0.05091(10) 0.72097(7) 0.46268(18) 0.0492(8) Uani 1 1 d . . . . .
O22 O 0.04277(14) 0.79623(8) 0.61572(12) 0.0454(7) Uani 1 1 d . . . . .
O23 O 0.24810(9) 0.71300(6) 0.42882(12) 0.0247(4) Uani 1 1 d . . . . .
O24 O 0.13701(13) 0.66357(7) 0.38935(15) 0.0472(7) Uani 1 1 d . . . . .
O25 O 0.14297(9) 0.69982(7) 0.54039(12) 0.0300(5) Uani 1 1 d . . . . .
O26 O 0.35744(8) 0.52080(6) 0.08006(10) 0.0207(4) Uani 1 1 d . . . . .
O27 O 0.37959(8) 0.53165(6) -0.03632(10) 0.0176(4) Uani 1 1 d . . . . .
O28 O 0.52643(8) 0.53889(6) -0.03387(10) 0.0178(4) Uani 1 1 d . . . . .
O29 O 0.46235(8) 0.58990(6) -0.04657(10) 0.0179(4) Uani 1 1 d . . . . .
O30 O 0.69770(8) 0.70180(6) 0.15407(12) 0.0243(4) Uani 1 1 d . . . . .
O31 O 0.78883(8) 0.67466(6) 0.15240(11) 0.0202(4) Uani 1 1 d . . . . .
O32 O 0.79760(8) 0.60233(6) 0.25433(10) 0.0186(4) Uani 1 1 d . . . . .
O33 O 0.76749(8) 0.58628(6) 0.13942(10) 0.0199(4) Uani 1 1 d . . . . .
O34 O 0.68454(8) 0.67913(6) 0.51355(10) 0.0219(4) Uani 1 1 d . . . . .
O35 O 0.66168(8) 0.67260(5) 0.63036(9) 0.0152(4) Uani 1 1 d . . . . .
O36 O 0.51195(8) 0.65735(6) 0.62195(10) 0.0188(4) Uani 1 1 d . . . . .
O37 O 0.58192(8) 0.61123(5) 0.64752(9) 0.0157(4) Uani 1 1 d . . . . .
O38 O 0.25890(11) 0.60595(9) 0.35933(16) 0.0518(8) Uani 1 1 d . . . . .
O39 O 0.25811(13) 0.58093(10) 0.46920(13) 0.0604(10) Uani 1 1 d . . . . .
O40 O 0.33921(8) 0.51024(5) 0.49307(10) 0.0179(4) Uani 1 1 d . . . . .
O41 O 0.30428(8) 0.49372(5) 0.38060(10) 0.0161(4) Uani 1 1 d . . . . .
O42 O 0.52623(10) 0.67178(7) -0.04263(12) 0.0300(5) Uani 1 1 d . . . . .
O43 O 0.56727(10) 0.76738(6) 0.09055(14) 0.0321(5) Uani 1 1 d . . . . .
O44 O 0.50922(11) 0.79770(7) 0.29331(14) 0.0392(6) Uani 1 1 d . . . . .
O45 O 0.31287(12) 0.75041(8) 0.30468(15) 0.0434(6) Uani 1 1 d . . . . .
O46 O 0.24274(9) 0.66081(8) 0.21823(13) 0.0368(6) Uani 1 1 d . . . . .
O47 O 0.32088(11) 0.63210(8) 0.00479(13) 0.0397(6) Uani 1 1 d . . . . .
O48 O 0.37930(10) 0.75224(8) -0.03352(13) 0.0408(6) Uani 1 1 d . . . . .
O49 O 0.38620(9) 0.81161(6) 0.10607(13) 0.0286(5) Uani 1 1 d . . . . .
O50 O 0.27642(9) 0.75778(6) 0.08158(12) 0.0240(4) Uani 1 1 d . . . . .
C1 C 0.11680(10) 0.84122(7) 0.39769(12) 0.0093(4) Uani 1 1 d . . . . .
C2 C 0.13026(10) 0.82855(7) 0.32637(12) 0.0092(4) Uani 1 1 d . . . . .
C3 C 0.08781(10) 0.80402(7) 0.28376(13) 0.0096(4) Uani 1 1 d . . . . .
C4 C 0.03349(10) 0.79247(7) 0.31372(13) 0.0097(4) Uani 1 1 d . . . . .
C5 C 0.01908(10) 0.80539(7) 0.38728(12) 0.0099(4) Uani 1 1 d . . . . .
C6 C 0.06015(10) 0.82946(7) 0.42813(12) 0.0097(4) Uani 1 1 d . . . . .
C7 C 0.03840(10) 0.86263(7) 0.46914(12) 0.0100(4) Uani 1 1 d . . . . .
C8 C 0.08520(10) 0.89359(7) 0.47262(13) 0.0115(4) Uani 1 1 d . . . . .
C9 C 0.12840(10) 0.88176(7) 0.41861(13) 0.0105(4) Uani 1 1 d . . . . .
C10 C 0.15160(10) 0.90773(7) 0.37104(13) 0.0106(4) Uani 1 1 d . . . . .
C11 C 0.16748(10) 0.89493(7) 0.29908(13) 0.0098(4) Uani 1 1 d . . . . .
C12 C 0.15505(10) 0.85722(7) 0.27647(13) 0.0103(4) Uani 1 1 d . . . . .
C13 C 0.12873(10) 0.84961(7) 0.20333(13) 0.0102(4) Uani 1 1 d . . . . .
C14 C 0.08733(10) 0.81797(7) 0.20815(13) 0.0099(4) Uani 1 1 d . . . . .
C15 C 0.03510(10) 0.81778(7) 0.16484(13) 0.0105(4) Uani 1 1 d . . . . .
C16 C -0.02070(10) 0.80583(7) 0.19522(13) 0.0108(4) Uani 1 1 d . . . . .
C17 C -0.02169(10) 0.79472(7) 0.26801(13) 0.0107(4) Uani 1 1 d . . . . .
C18 C -0.06891(10) 0.80730(7) 0.31177(13) 0.0106(4) Uani 1 1 d . . . . .
C19 C -0.04403(10) 0.81534(7) 0.38538(13) 0.0107(4) Uani 1 1 d . . . . .
C20 C -0.06416(10) 0.84553(7) 0.42677(13) 0.0109(4) Uani 1 1 d . . . . .
C21 C -0.02156(10) 0.87081(7) 0.46661(12) 0.0106(4) Uani 1 1 d . . . . .
C22 C -0.04330(10) 0.91131(7) 0.46163(12) 0.0110(4) Uani 1 1 d . . . . .
C23 C -0.00422(10) 0.94276(7) 0.45948(13) 0.0118(4) Uani 1 1 d . . . . .
C24 C 0.06170(10) 0.93800(7) 0.46900(13) 0.0114(4) Uani 1 1 d . . . . .
C25 C 0.08639(10) 0.96202(7) 0.40997(13) 0.0116(4) Uani 1 1 d . . . . .
C26 C 0.13037(10) 0.94825(7) 0.36608(13) 0.0107(4) Uani 1 1 d . . . . .
C27 C 0.13219(10) 0.96045(7) 0.29158(13) 0.0109(4) Uani 1 1 d . . . . .
C28 C 0.16260(10) 0.92953(7) 0.24982(13) 0.0105(4) Uani 1 1 d . . . . .
C29 C 0.13514(10) 0.92123(7) 0.16901(13) 0.0100(4) Uani 1 1 d . . . . .
C30 C 0.11761(10) 0.87981(7) 0.15372(13) 0.0100(4) Uani 1 1 d . . . . .
C31 C 0.06280(10) 0.87990(7) 0.11086(12) 0.0106(4) Uani 1 1 d . . . . .
C32 C 0.02326(10) 0.84856(7) 0.11403(12) 0.0104(4) Uani 1 1 d . . . . .
C33 C -0.04246(10) 0.85336(7) 0.10418(13) 0.0109(4) Uani 1 1 d . . . . .
C34 C -0.06760(10) 0.82894(7) 0.16266(13) 0.0111(4) Uani 1 1 d . . . . .
C35 C -0.11249(10) 0.84233(7) 0.20619(13) 0.0112(4) Uani 1 1 d . . . . .
C36 C -0.11455(10) 0.82993(7) 0.28063(13) 0.0114(4) Uani 1 1 d . . . . .
C37 C -0.14412(10) 0.86124(7) 0.32233(13) 0.0117(4) Uani 1 1 d . . . . .
C38 C -0.11673(10) 0.86994(7) 0.40292(13) 0.0114(4) Uani 1 1 d . . . . .
C39 C -0.09831(10) 0.91130(7) 0.41799(13) 0.0120(4) Uani 1 1 d . . . . .
C40 C -0.11072(10) 0.94170(7) 0.36937(13) 0.0118(4) Uani 1 1 d . . . . .
C41 C -0.06890(11) 0.97347(7) 0.36420(13) 0.0127(5) Uani 1 1 d . . . . .
C42 C -0.01631(11) 0.97355(7) 0.40805(13) 0.0124(5) Uani 1 1 d . . . . .
C43 C 0.03921(10) 0.98534(7) 0.37756(13) 0.0117(4) Uani 1 1 d . . . . .
C44 C 0.04007(10) 0.99652(7) 0.30475(13) 0.0120(4) Uani 1 1 d . . . . .
C45 C 0.08759(10) 0.98403(7) 0.26079(13) 0.0115(4) Uani 1 1 d . . . . .
C46 C 0.06219(10) 0.97597(7) 0.18712(13) 0.0119(4) Uani 1 1 d . . . . .
C47 C 0.08229(10) 0.94519(7) 0.14589(13) 0.0113(4) Uani 1 1 d . . . . .
C48 C 0.04079(10) 0.92049(7) 0.10548(12) 0.0107(4) Uani 1 1 d . . . . .
C49 C -0.01950(10) 0.92859(7) 0.10346(13) 0.0115(4) Uani 1 1 d . . . . .
C50 C -0.06597(10) 0.89746(7) 0.09896(13) 0.0115(4) Uani 1 1 d . . . . .
C51 C -0.10979(10) 0.90930(7) 0.15284(13) 0.0121(5) Uani 1 1 d . . . . .
C52 C -0.13340(10) 0.88308(7) 0.20148(13) 0.0113(4) Uani 1 1 d . . . . .
C53 C -0.14838(10) 0.89563(7) 0.27254(13) 0.0121(5) Uani 1 1 d . . . . .
C54 C -0.13604(10) 0.93355(7) 0.29566(13) 0.0123(5) Uani 1 1 d . . . . .
C55 C -0.10922(10) 0.96056(7) 0.24694(13) 0.0125(5) Uani 1 1 d . . . . .
C56 C -0.06764(11) 0.98522(7) 0.28874(13) 0.0127(5) Uani 1 1 d . . . . .
C57 C -0.01472(11) 0.99648(7) 0.25982(13) 0.0127(5) Uani 1 1 d . . . . .
C58 C -0.00066(10) 0.98380(7) 0.18752(13) 0.0119(4) Uani 1 1 d . . . . .
C59 C -0.04053(10) 0.96023(7) 0.14659(13) 0.0119(4) Uani 1 1 d . . . . .
C60 C -0.09594(10) 0.94820(7) 0.17710(13) 0.0116(4) Uani 1 1 d . . . . .
C61 C -0.07428(10) 0.86906(7) 0.03587(13) 0.0120(4) Uani 1 1 d . . . . .
C62 C -0.03736(11) 0.87846(8) -0.02879(13) 0.0148(5) Uani 1 1 d . . . . .
C63 C -0.03049(16) 0.92504(10) -0.12417(16) 0.0301(7) Uani 1 1 d . . . . .
H63A H 0.0125 0.9190 -0.1193 0.036 Uiso 1 1 calc R U . . .
H63B H -0.0350 0.9539 -0.1277 0.036 Uiso 1 1 calc R U . . .
C64 C -0.05673(14) 0.90631(11) -0.19173(16) 0.0325(7) Uani 1 1 d . . . . .
H64A H -0.0377 0.9170 -0.2341 0.049 Uiso 1 1 calc R U . . .
H64B H -0.0995 0.9118 -0.1960 0.049 Uiso 1 1 calc R U . . .
H64C H -0.0503 0.8779 -0.1894 0.049 Uiso 1 1 calc R U . . .
C65 C -0.13546(11) 0.85352(8) 0.01541(14) 0.0152(5) Uani 1 1 d . . . . .
C66 C -0.19446(13) 0.82568(11) -0.08173(17) 0.0305(7) Uani 1 1 d . . . . .
H66A H -0.2261 0.8459 -0.0851 0.037 Uiso 1 1 calc R U . . .
H66B H -0.2068 0.8047 -0.0486 0.037 Uiso 1 1 calc R U . . .
C67 C -0.18448(14) 0.80913(9) -0.15507(16) 0.0265(6) Uani 1 1 d . . . . .
H67A H -0.2222 0.7995 -0.1770 0.040 Uiso 1 1 calc R U . . .
H67B H -0.1561 0.7874 -0.1504 0.040 Uiso 1 1 calc R U . . .
H67C H -0.1686 0.8296 -0.1860 0.040 Uiso 1 1 calc R U . . .
C68 C -0.18077(10) 0.85663(7) 0.38852(13) 0.0124(5) Uani 1 1 d . . . . .
C69 C -0.19857(11) 0.81542(8) 0.40930(13) 0.0152(5) Uani 1 1 d . . . . .
C70 C -0.28174(12) 0.77478(8) 0.43197(16) 0.0215(6) Uani 1 1 d . . . . .
H70A H -0.2598 0.7622 0.4736 0.026 Uiso 1 1 calc R U . . .
H70B H -0.2786 0.7578 0.3887 0.026 Uiso 1 1 calc R U . . .
C71 C -0.34575(13) 0.78055(10) 0.4486(2) 0.0351(8) Uani 1 1 d . . . . .
H71A H -0.3643 0.7549 0.4562 0.053 Uiso 1 1 calc R U . . .
H71B H -0.3666 0.7939 0.4077 0.053 Uiso 1 1 calc R U . . .
H71C H -0.3482 0.7965 0.4925 0.053 Uiso 1 1 calc R U . . .
C72 C -0.23064(11) 0.88643(8) 0.39332(14) 0.0147(5) Uani 1 1 d . . . . .
C73 C -0.28850(13) 0.92298(10) 0.47168(17) 0.0281(7) Uani 1 1 d . . . . .
H73A H -0.2920 0.9426 0.4321 0.034 Uiso 1 1 calc R U . . .
H73B H -0.2832 0.9372 0.5183 0.034 Uiso 1 1 calc R U . . .
C74 C -0.34442(13) 0.89874(11) 0.47178(18) 0.0346(8) Uani 1 1 d . . . . .
H74A H -0.3786 0.9160 0.4782 0.052 Uiso 1 1 calc R U . . .
H74B H -0.3413 0.8797 0.5117 0.052 Uiso 1 1 calc R U . . .
H74C H -0.3498 0.8847 0.4255 0.052 Uiso 1 1 calc R U . . .
C75 C 0.09631(11) 0.92215(7) 0.53530(13) 0.0127(5) Uani 1 1 d . . . . .
C76 C 0.06454(11) 0.91234(7) 0.60318(13) 0.0145(5) Uani 1 1 d . . . . .
C77 C 0.07496(18) 0.87203(10) 0.70796(17) 0.0364(8) Uani 1 1 d . . . . .
H77A H 0.0889 0.8451 0.7200 0.044 Uiso 1 1 calc R U . . .
H77B H 0.0310 0.8721 0.7078 0.044 Uiso 1 1 calc R U . . .
C78 C 0.09942(18) 0.90021(12) 0.76464(18) 0.0418(9) Uani 1 1 d . . . . .
H78A H 0.0851 0.8929 0.8122 0.063 Uiso 1 1 calc R U . . .
H78B H 0.0862 0.9269 0.7523 0.063 Uiso 1 1 calc R U . . .
H78C H 0.1429 0.8992 0.7664 0.063 Uiso 1 1 calc R U . . .
C79 C 0.15844(11) 0.93833(8) 0.55026(14) 0.0157(5) Uani 1 1 d . . . . .
C80 C 0.22270(15) 0.96930(14) 0.6381(2) 0.0454(10) Uani 1 1 d . . . . .
H80A H 0.2231 0.9970 0.6216 0.055 Uiso 1 1 calc R U . . .
H80B H 0.2550 0.9551 0.6147 0.055 Uiso 1 1 calc R U . . .
C81 C 0.23216(15) 0.96755(12) 0.7181(2) 0.0431(9) Uani 1 1 d . . . . .
H81A H 0.2694 0.9809 0.7326 0.065 Uiso 1 1 calc R U . . .
H81B H 0.2342 0.9400 0.7337 0.065 Uiso 1 1 calc R U . . .
H81C H 0.1991 0.9806 0.7409 0.065 Uiso 1 1 calc R U . . .
C82 C 0.19722(10) 0.93807(7) 0.18323(13) 0.0111(4) Uani 1 1 d . . . . .
C83 C 0.24918(11) 0.91213(8) 0.16733(14) 0.0149(5) Uani 1 1 d . . . . .
C84 C 0.34362(15) 0.91226(10) 0.11143(18) 0.0324(7) Uani 1 1 d . . . . .
H84A H 0.3303 0.8881 0.0855 0.039 Uiso 1 1 calc R U . . .
H84B H 0.3652 0.9288 0.0773 0.039 Uiso 1 1 calc R U . . .
C85 C 0.38358(15) 0.90183(11) 0.1750(2) 0.0366(8) Uani 1 1 d . . . . .
H85A H 0.4199 0.8898 0.1581 0.055 Uiso 1 1 calc R U . . .
H85B H 0.3634 0.8832 0.2059 0.055 Uiso 1 1 calc R U . . .
H85C H 0.3938 0.9256 0.2028 0.055 Uiso 1 1 calc R U . . .
C86 C 0.20704(10) 0.98131(7) 0.16725(13) 0.0130(5) Uani 1 1 d . . . . .
C87 C 0.19888(12) 1.03036(8) 0.07606(15) 0.0182(5) Uani 1 1 d . . . . .
H87A H 0.2418 1.0363 0.0752 0.022 Uiso 1 1 calc R U . . .
H87B H 0.1805 1.0487 0.1101 0.022 Uiso 1 1 calc R U . . .
C88 C 0.16981(13) 1.03430(9) 0.00093(16) 0.0238(6) Uani 1 1 d . . . . .
H88A H 0.1764 1.0609 -0.0175 0.036 Uiso 1 1 calc R U . . .
H88B H 0.1271 1.0295 0.0030 0.036 Uiso 1 1 calc R U . . .
H88C H 0.1871 1.0151 -0.0316 0.036 Uiso 1 1 calc R U . . .
C89 C 0.18767(11) 0.80890(8) 0.50923(15) 0.0181(5) Uani 1 1 d . . . . .
C90 C 0.24762(11) 0.81497(8) 0.37583(14) 0.0174(5) Uani 1 1 d . . . . .
C91 C 0.14489(14) 0.73733(8) 0.23911(17) 0.0261(6) Uani 1 1 d . . . . .
C92 C 0.02826(13) 0.71452(8) 0.28730(17) 0.0242(6) Uani 1 1 d . . . . .
C93 C -0.00617(12) 0.73579(8) 0.46275(18) 0.0252(6) Uani 1 1 d . . . . .
C94 C 0.05312(14) 0.78546(9) 0.55918(15) 0.0241(6) Uani 1 1 d . . . . .
C95 C 0.21969(11) 0.74054(8) 0.42105(15) 0.0178(5) Uani 1 1 d . . . . .
C96 C 0.12398(14) 0.69377(9) 0.36801(17) 0.0270(6) Uani 1 1 d . . . . .
C97 C 0.11673(12) 0.72376(9) 0.51017(15) 0.0208(6) Uani 1 1 d . . . . .
C98 C 0.47209(10) 0.65164(7) 0.13609(13) 0.0111(4) Uani 1 1 d . . . . .
C99 C 0.50945(10) 0.68013(7) 0.17222(13) 0.0101(4) Uani 1 1 d . . . . .
C100 C 0.49050(10) 0.69821(7) 0.24012(13) 0.0107(4) Uani 1 1 d . . . . .
C101 C 0.43540(10) 0.68732(7) 0.27006(13) 0.0109(4) Uani 1 1 d . . . . .
C102 C 0.39826(10) 0.65731(7) 0.23272(13) 0.0094(4) Uani 1 1 d . . . . .
C103 C 0.41589(10) 0.63965(7) 0.16713(12) 0.0097(4) Uani 1 1 d . . . . .
C104 C 0.40811(10) 0.59775(7) 0.15592(12) 0.0099(4) Uani 1 1 d . . . . .
C105 C 0.45487(10) 0.58362(7) 0.10886(12) 0.0103(4) Uani 1 1 d . . . . .
C106 C 0.49877(10) 0.61633(7) 0.10720(12) 0.0103(4) Uani 1 1 d . . . . .
C107 C 0.55922(10) 0.61066(7) 0.11508(12) 0.0104(4) Uani 1 1 d . . . . .
C108 C 0.59788(10) 0.64035(7) 0.14984(12) 0.0104(4) Uani 1 1 d . . . . .
C109 C 0.57345(10) 0.67269(7) 0.18069(13) 0.0105(4) Uani 1 1 d . . . . .
C110 C 0.59418(10) 0.68713(7) 0.25245(13) 0.0103(4) Uani 1 1 d . . . . .
C111 C 0.54389(10) 0.70128(7) 0.28917(13) 0.0111(4) Uani 1 1 d . . . . .
C112 C 0.54049(10) 0.69567(7) 0.36407(13) 0.0111(4) Uani 1 1 d . . . . .
C113 C 0.48428(10) 0.68431(7) 0.39430(13) 0.0104(4) Uani 1 1 d . . . . .
C114 C 0.43405(10) 0.67902(7) 0.34846(13) 0.0105(4) Uani 1 1 d . . . . .
C115 C 0.39500(10) 0.64661(7) 0.35975(13) 0.0100(4) Uani 1 1 d . . . . .
C116 C 0.37331(10) 0.63207(7) 0.28829(12) 0.0097(4) Uani 1 1 d . . . . .
C117 C 0.36483(10) 0.59266(7) 0.27504(12) 0.0097(4) Uani 1 1 d . . . . .
C118 C 0.38465(10) 0.57501(7) 0.20894(12) 0.0098(4) Uani 1 1 d . . . . .
C119 C 0.40913(10) 0.53613(7) 0.22628(13) 0.0104(4) Uani 1 1 d . . . . .
C120 C 0.45611(10) 0.52076(7) 0.18915(13) 0.0109(4) Uani 1 1 d . . . . .
C121 C 0.48179(10) 0.54073(7) 0.12557(13) 0.0113(4) Uani 1 1 d . . . . .
C122 C 0.54736(10) 0.53927(7) 0.14053(13) 0.0114(4) Uani 1 1 d . . . . .
C123 C 0.58385(10) 0.57189(7) 0.13229(12) 0.0105(4) Uani 1 1 d . . . . .
C124 C 0.63671(10) 0.57708(7) 0.17841(13) 0.0109(4) Uani 1 1 d . . . . .
C125 C 0.65114(10) 0.61977(7) 0.18276(13) 0.0107(4) Uani 1 1 d . . . . .
C126 C 0.67464(10) 0.63564(7) 0.26150(13) 0.0105(4) Uani 1 1 d . . . . .
C127 C 0.64045(10) 0.66871(7) 0.29193(13) 0.0105(4) Uani 1 1 d . . . . .
C128 C 0.63562(10) 0.66211(7) 0.36824(13) 0.0108(4) Uani 1 1 d . . . . .
C129 C 0.58797(10) 0.67704(7) 0.40524(13) 0.0113(4) Uani 1 1 d . . . . .
C130 C 0.56236(10) 0.65655(7) 0.46881(13) 0.0108(4) Uani 1 1 d . . . . .
C131 C 0.49657(10) 0.65840(7) 0.45388(12) 0.0101(4) Uani 1 1 d . . . . .
C132 C 0.45947(10) 0.62644(7) 0.46357(12) 0.0101(4) Uani 1 1 d . . . . .
C133 C 0.40659(10) 0.62103(7) 0.41782(12) 0.0100(4) Uani 1 1 d . . . . .
C134 C 0.39329(10) 0.57837(7) 0.41310(12) 0.0101(4) Uani 1 1 d . . . . .
C135 C 0.36984(10) 0.56264(7) 0.33338(12) 0.0094(4) Uani 1 1 d . . . . .
C136 C 0.40498(10) 0.52997(7) 0.30285(13) 0.0100(4) Uani 1 1 d . . . . .
C137 C 0.44983(10) 0.51075(7) 0.34279(13) 0.0102(4) Uani 1 1 d . . . . .
C138 C 0.50066(10) 0.49678(7) 0.30548(13) 0.0110(4) Uani 1 1 d . . . . .
C139 C 0.50363(10) 0.50206(7) 0.23054(13) 0.0109(4) Uani 1 1 d . . . . .
C140 C 0.55972(10) 0.51346(7) 0.20058(13) 0.0108(4) Uani 1 1 d . . . . .
C141 C 0.61012(10) 0.51905(7) 0.24672(13) 0.0113(4) Uani 1 1 d . . . . .
C142 C 0.64949(10) 0.55141(7) 0.23537(13) 0.0110(4) Uani 1 1 d . . . . .
C143 C 0.67092(10) 0.56609(7) 0.30716(13) 0.0110(4) Uani 1 1 d . . . . .
C144 C 0.67944(10) 0.60569(7) 0.31999(13) 0.0104(4) Uani 1 1 d . . . . .
C145 C 0.66041(10) 0.62330(7) 0.38592(13) 0.0111(4) Uani 1 1 d . . . . .
C146 C 0.63648(10) 0.60016(7) 0.43941(13) 0.0109(4) Uani 1 1 d . . . . .
C147 C 0.58941(10) 0.61449(7) 0.48657(13) 0.0104(4) Uani 1 1 d . . . . .
C148 C 0.54550(10) 0.58166(7) 0.48832(12) 0.0108(4) Uani 1 1 d . . . . .
C149 C 0.48445(10) 0.58747(7) 0.48110(12) 0.0100(4) Uani 1 1 d . . . . .
C150 C 0.44678(10) 0.55835(7) 0.44551(12) 0.0099(4) Uani 1 1 d . . . . .
C151 C 0.47126(10) 0.52526(7) 0.41463(12) 0.0102(4) Uani 1 1 d . . . . .
C152 C 0.53474(10) 0.51989(7) 0.41998(13) 0.0107(4) Uani 1 1 d . . . . .
C153 C 0.55310(10) 0.50223(7) 0.35323(13) 0.0108(4) Uani 1 1 d . . . . .
C154 C 0.60646(10) 0.51314(7) 0.32438(13) 0.0116(4) Uani 1 1 d . . . . .
C155 C 0.64410(10) 0.54230(7) 0.36094(13) 0.0111(4) Uani 1 1 d . . . . .
C156 C 0.62645(10) 0.55949(7) 0.42538(13) 0.0107(4) Uani 1 1 d . . . . .
C157 C 0.57084(10) 0.54798(7) 0.45539(12) 0.0109(4) Uani 1 1 d . . . . .
C158 C 0.45074(10) 0.55044(7) 0.05328(13) 0.0123(5) Uani 1 1 d . . . . .
C159 C 0.39042(11) 0.53228(7) 0.03557(13) 0.0137(5) Uani 1 1 d . . . . .
C160 C 0.32177(11) 0.51703(9) -0.06446(14) 0.0195(5) Uani 1 1 d . . . . .
H16A H 0.2929 0.5175 -0.0257 0.023 Uiso 1 1 calc R U . . .
H16B H 0.3256 0.4897 -0.0818 0.023 Uiso 1 1 calc R U . . .
C161 C 0.30091(12) 0.54328(9) -0.12617(16) 0.0239(6) Uani 1 1 d . . . . .
H16C H 0.2641 0.5327 -0.1490 0.036 Uiso 1 1 calc R U . . .
H16D H 0.3315 0.5445 -0.1621 0.036 Uiso 1 1 calc R U . . .
H16E H 0.2935 0.5697 -0.1076 0.036 Uiso 1 1 calc R U . . .
C162 C 0.48584(11) 0.55806(8) -0.01337(13) 0.0136(5) Uani 1 1 d . . . . .
C163 C 0.47823(13) 0.59758(9) -0.12057(14) 0.0213(6) Uani 1 1 d . . . . .
H16F H 0.4786 0.5729 -0.1488 0.026 Uiso 1 1 calc R U . . .
H16G H 0.5181 0.6098 -0.1211 0.026 Uiso 1 1 calc R U . . .
C164 C 0.43164(14) 0.62523(10) -0.15239(16) 0.0284(6) Uani 1 1 d . . . . .
H16H H 0.4412 0.6322 -0.2021 0.043 Uiso 1 1 calc R U . . .
H16I H 0.4308 0.6491 -0.1227 0.043 Uiso 1 1 calc R U . . .
H16J H 0.3927 0.6124 -0.1530 0.043 Uiso 1 1 calc R U . . .
C165 C 0.71369(10) 0.63561(7) 0.19658(13) 0.0121(5) Uani 1 1 d . . . . .
C166 C 0.73090(11) 0.67466(8) 0.16476(13) 0.0143(5) Uani 1 1 d . . . . .
C167 C 0.81276(13) 0.71155(10) 0.1261(2) 0.0310(7) Uani 1 1 d . . . . .
H16K H 0.8088 0.7325 0.1628 0.037 Uiso 1 1 calc R U . . .
H16L H 0.7908 0.7197 0.0807 0.037 Uiso 1 1 calc R U . . .
C168 C 0.87709(15) 0.70479(13) 0.1122(2) 0.0459(10) Uani 1 1 d . . . . .
H16M H 0.8947 0.7293 0.0953 0.069 Uiso 1 1 calc R U . . .
H16N H 0.8804 0.6844 0.0750 0.069 Uiso 1 1 calc R U . . .
H16O H 0.8982 0.6963 0.1572 0.069 Uiso 1 1 calc R U . . .
C169 C 0.76460(10) 0.60609(8) 0.20148(14) 0.0139(5) Uani 1 1 d . . . . .
C170 C 0.81920(13) 0.56039(10) 0.13494(18) 0.0286(7) Uani 1 1 d . . . . .
H17A H 0.8107 0.5397 0.0982 0.034 Uiso 1 1 calc R U . . .
H17B H 0.8279 0.5476 0.1825 0.034 Uiso 1 1 calc R U . . .
C171 C 0.87216(14) 0.58447(12) 0.11397(18) 0.0362(8) Uani 1 1 d . . . . .
H17C H 0.9061 0.5670 0.1073 0.054 Uiso 1 1 calc R U . . .
H17D H 0.8824 0.6035 0.1525 0.054 Uiso 1 1 calc R U . . .
H17E H 0.8623 0.5985 0.0685 0.054 Uiso 1 1 calc R U . . .
C172 C 0.59329(10) 0.64753(7) 0.54216(13) 0.0119(4) Uani 1 1 d . . . . .
C173 C 0.65209(10) 0.66797(7) 0.55900(13) 0.0133(5) Uani 1 1 d . . . . .
C174 C 0.71489(11) 0.69487(8) 0.65249(14) 0.0191(5) Uani 1 1 d . . . . .
H17F H 0.7122 0.7219 0.6330 0.023 Uiso 1 1 calc R U . . .
H17G H 0.7506 0.6821 0.6340 0.023 Uiso 1 1 calc R U . . .
C175 C 0.71835(15) 0.69553(12) 0.73417(16) 0.0346(8) Uani 1 1 d . . . . .
H17H H 0.7529 0.7110 0.7514 0.052 Uiso 1 1 calc R U . . .
H17I H 0.7222 0.6686 0.7527 0.052 Uiso 1 1 calc R U . . .
H17J H 0.6822 0.7074 0.7517 0.052 Uiso 1 1 calc R U . . .
C176 C 0.55628(11) 0.64031(7) 0.60796(13) 0.0136(5) Uani 1 1 d . . . . .
C177 C 0.55687(11) 0.60326(8) 0.71770(14) 0.0177(5) Uani 1 1 d . . . . .
H17K H 0.5190 0.5886 0.7109 0.021 Uiso 1 1 calc R U . . .
H17L H 0.5491 0.6282 0.7433 0.021 Uiso 1 1 calc R U . . .
C178 C 0.60219(12) 0.57898(8) 0.76096(15) 0.0198(5) Uani 1 1 d . . . . .
H17M H 0.5857 0.5709 0.8069 0.030 Uiso 1 1 calc R U . . .
H17N H 0.6381 0.5947 0.7711 0.030 Uiso 1 1 calc R U . . .
H17O H 0.6122 0.5556 0.7330 0.030 Uiso 1 1 calc R U . . .
C179 C 0.33337(10) 0.55918(7) 0.39890(13) 0.0103(4) Uani 1 1 d . . . . .
C180 C 0.27864(10) 0.58477(7) 0.40437(13) 0.0119(4) Uani 1 1 d . . . . .
C181 C 0.20542(19) 0.60463(17) 0.4841(2) 0.0650(16) Uani 1 1 d . . . . .
H18A H 0.2059 0.6113 0.5365 0.078 Uiso 1 1 calc R U . . .
H18B H 0.2061 0.6294 0.4562 0.078 Uiso 1 1 calc R U . . .
C182 C 0.1512(2) 0.58256(15) 0.4637(3) 0.0689(17) Uani 1 1 d . . . . .
H18C H 0.1164 0.5988 0.4721 0.103 Uiso 1 1 calc R U . . .
H18D H 0.1497 0.5586 0.4931 0.103 Uiso 1 1 calc R U . . .
H18E H 0.1513 0.5755 0.4121 0.103 Uiso 1 1 calc R U . . .
C183 C 0.32627(10) 0.51840(7) 0.43105(13) 0.0115(4) Uani 1 1 d . . . . .
C184 C 0.30277(11) 0.45231(7) 0.40190(14) 0.0159(5) Uani 1 1 d . . . . .
H18F H 0.2866 0.4496 0.4507 0.019 Uiso 1 1 calc R U . . .
H18G H 0.3433 0.4411 0.4035 0.019 Uiso 1 1 calc R U . . .
C185 C 0.26350(12) 0.43122(8) 0.34607(16) 0.0215(6) Uani 1 1 d . . . . .
H18H H 0.2604 0.4035 0.3595 0.032 Uiso 1 1 calc R U . . .
H18I H 0.2807 0.4333 0.2984 0.032 Uiso 1 1 calc R U . . .
H18J H 0.2239 0.4431 0.3440 0.032 Uiso 1 1 calc R U . . .
C186 C 0.49959(12) 0.68537(8) 0.00219(14) 0.0191(5) Uani 1 1 d . . . . .
C187 C 0.52606(12) 0.74833(8) 0.08721(16) 0.0201(5) Uani 1 1 d . . . . .
C188 C 0.47558(14) 0.77775(8) 0.26310(17) 0.0255(6) Uani 1 1 d . . . . .
C189 C 0.35325(14) 0.74943(9) 0.27004(17) 0.0269(6) Uani 1 1 d . . . . .
C190 C 0.28246(12) 0.67051(9) 0.18713(16) 0.0219(6) Uani 1 1 d . . . . .
C191 C 0.33081(12) 0.65260(9) 0.05207(15) 0.0225(6) Uani 1 1 d . . . . .
C192 C 0.40715(13) 0.73681(10) 0.01117(16) 0.0260(6) Uani 1 1 d . . . . .
C193 C 0.39968(12) 0.78576(8) 0.14263(16) 0.0205(5) Uani 1 1 d . . . . .
C194 C 0.30644(11) 0.73245(8) 0.10065(15) 0.0179(5) 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 0.0047 0.0023 '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'
O O 0.0152 0.0085 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -0.8570 1.1034 '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
C89 Ru1 C95 100.43(11) . .
C89 Ru1 C90 96.84(11) . .
C95 Ru1 C90 91.32(11) . .
C89 Ru1 C1 83.19(10) . .
C95 Ru1 C1 170.47(10) . .
C90 Ru1 C1 97.02(10) . .
C89 Ru1 C2 118.50(10) . .
C95 Ru1 C2 141.03(10) . .
C90 Ru1 C2 82.75(10) . .
C1 Ru1 C2 36.83(8) . .
C89 Ru1 Ru3 80.25(8) . .
C95 Ru1 Ru3 97.25(8) . .
C90 Ru1 Ru3 171.30(8) . .
C1 Ru1 Ru3 74.55(6) . .
C2 Ru1 Ru3 91.41(6) . .
C89 Ru1 Ru2 139.25(8) . .
C95 Ru1 Ru2 81.00(8) . .
C90 Ru1 Ru2 123.90(8) . .
C1 Ru1 Ru2 90.50(6) . .
C2 Ru1 Ru2 71.04(6) . .
Ru3 Ru1 Ru2 59.359(7) . .
C92 Ru2 C96 88.46(13) . .
C92 Ru2 C91 99.42(14) . .
C96 Ru2 C91 96.41(13) . .
C92 Ru2 C3 106.26(11) . .
C96 Ru2 C3 165.27(11) . .
C91 Ru2 C3 81.99(10) . .
C92 Ru2 C4 80.47(10) . .
C96 Ru2 C4 150.88(12) . .
C91 Ru2 C4 111.87(11) . .
C3 Ru2 C4 36.75(8) . .
C92 Ru2 Ru3 102.99(9) . .
C96 Ru2 Ru3 84.90(10) . .
C91 Ru2 Ru3 157.57(10) . .
C3 Ru2 Ru3 91.08(6) . .
C4 Ru2 Ru3 71.69(6) . .
C92 Ru2 Ru1 162.32(9) . .
C96 Ru2 Ru1 93.66(9) . .
C91 Ru2 Ru1 97.78(10) . .
C3 Ru2 Ru1 72.16(6) . .
C4 Ru2 Ru1 89.37(6) . .
Ru3 Ru2 Ru1 59.822(7) . .
C94 Ru3 C97 90.82(12) . .
C94 Ru3 C93 91.90(14) . .
C97 Ru3 C93 97.75(12) . .
C94 Ru3 C5 103.94(11) . .
C97 Ru3 C5 165.08(10) . .
C93 Ru3 C5 84.16(11) . .
C94 Ru3 C6 83.87(10) . .
C97 Ru3 C6 147.30(10) . .
C93 Ru3 C6 114.62(10) . .
C5 Ru3 C6 35.99(8) . .
C94 Ru3 Ru2 172.51(9) . .
C97 Ru3 Ru2 92.37(8) . .
C93 Ru3 Ru2 94.38(10) . .
C5 Ru3 Ru2 72.71(6) . .
C6 Ru3 Ru2 89.80(6) . .
C94 Ru3 Ru1 112.95(9) . .
C97 Ru3 Ru1 82.79(8) . .
C93 Ru3 Ru1 155.15(10) . .
C5 Ru3 Ru1 89.30(6) . .
C6 Ru3 Ru1 69.92(6) . .
Ru2 Ru3 Ru1 60.818(7) . .
C186 Ru4 C192 91.09(12) . .
C186 Ru4 C187 89.74(12) . .
C192 Ru4 C187 101.97(13) . .
C186 Ru4 C99 97.75(10) . .
C192 Ru4 C99 168.61(10) . .
C187 Ru4 C99 85.31(10) . .
C186 Ru4 C98 83.84(10) . .
C192 Ru4 C98 138.55(11) . .
C187 Ru4 C98 119.05(10) . .
C99 Ru4 C98 36.69(8) . .
C186 Ru4 Ru5 170.29(8) . .
C192 Ru4 Ru5 98.55(9) . .
C187 Ru4 Ru5 87.20(8) . .
C99 Ru4 Ru5 72.83(6) . .
C98 Ru4 Ru5 89.60(6) . .
C186 Ru4 Ru6 124.06(8) . .
C192 Ru4 Ru6 79.27(9) . .
C187 Ru4 Ru6 146.21(8) . .
C99 Ru4 Ru6 89.80(6) . .
C98 Ru4 Ru6 70.16(6) . .
Ru5 Ru4 Ru6 59.523(7) . .
C188 Ru5 C189 99.95(14) . .
C188 Ru5 C193 91.50(12) . .
C189 Ru5 C193 97.81(12) . .
C188 Ru5 C101 100.81(10) . .
C189 Ru5 C101 84.54(11) . .
C193 Ru5 C101 166.91(10) . .
C188 Ru5 C100 82.01(10) . .
C189 Ru5 C100 118.96(11) . .
C193 Ru5 C100 143.23(10) . .
C101 Ru5 C100 36.86(8) . .
C188 Ru5 Ru6 172.58(8) . .
C189 Ru5 Ru6 84.53(10) . .
C193 Ru5 Ru6 93.76(8) . .
C101 Ru5 Ru6 73.59(6) . .
C100 Ru5 Ru6 90.65(6) . .
C188 Ru5 Ru4 115.41(10) . .
C189 Ru5 Ru4 144.53(10) . .
C193 Ru5 Ru4 79.36(9) . .
C101 Ru5 Ru4 91.23(6) . .
C100 Ru5 Ru4 71.20(6) . .
Ru6 Ru5 Ru4 60.630(7) . .
C194 Ru6 C190 90.38(11) . .
C194 Ru6 C191 98.97(12) . .
C190 Ru6 C191 94.64(13) . .
C194 Ru6 C103 168.57(10) . .
C190 Ru6 C103 100.42(10) . .
C191 Ru6 C103 83.99(10) . .
C194 Ru6 C102 145.06(10) . .
C190 Ru6 C102 80.05(9) . .
C191 Ru6 C102 115.16(10) . .
C103 Ru6 C102 36.16(8) . .
C194 Ru6 Ru5 82.21(8) . .
C190 Ru6 Ru5 112.32(9) . .
C191 Ru6 Ru5 153.03(9) . .
C103 Ru6 Ru5 90.16(6) . .
C102 Ru6 Ru5 70.92(6) . .
C194 Ru6 Ru4 95.31(8) . .
C190 Ru6 Ru4 169.38(8) . .
C191 Ru6 Ru4 93.32(9) . .
C103 Ru6 Ru4 73.44(6) . .
C102 Ru6 Ru4 90.21(6) . .
Ru5 Ru6 Ru4 59.847(7) . .
C62 O2 C63 117.0(2) . .
C65 O4 C66 116.4(2) . .
C69 O6 C70 116.1(2) . .
C72 O8 C73 114.3(2) . .
C76 O10 C77 116.1(2) . .
C79 O12 C80 116.0(2) . .
C83 O14 C84 116.3(2) . .
C86 O16 C87 116.0(2) . .
C159 O27 C160 118.21(19) . .
C162 O29 C163 117.7(2) . .
C166 O31 C167 115.9(2) . .
C169 O33 C170 115.1(2) . .
C173 O35 C174 115.4(2) . .
C176 O37 C177 116.27(19) . .
C180 O39 C181 116.1(3) . .
C183 O41 C184 115.67(19) . .
C2 C1 C9 119.1(2) . .
C2 C1 C6 119.6(2) . .
C9 C1 C6 107.75(19) . .
C2 C1 Ru1 73.24(13) . .
C9 C1 Ru1 127.46(16) . .
C6 C1 Ru1 106.75(15) . .
C1 C2 C3 120.1(2) . .
C1 C2 C12 118.6(2) . .
C3 C2 C12 107.49(19) . .
C1 C2 Ru1 69.93(13) . .
C3 C2 Ru1 108.40(15) . .
C12 C2 Ru1 129.10(15) . .
C4 C3 C2 120.0(2) . .
C4 C3 C14 119.3(2) . .
C2 C3 C14 107.31(19) . .
C4 C3 Ru2 71.70(13) . .
C2 C3 Ru2 108.33(15) . .
C14 C3 Ru2 127.20(16) . .
C3 C4 C17 118.9(2) . .
C3 C4 C5 120.4(2) . .
C17 C4 C5 107.04(19) . .
C3 C4 Ru2 71.54(13) . .
C17 C4 Ru2 127.11(16) . .
C5 C4 Ru2 109.11(15) . .
C6 C5 C19 119.1(2) . .
C6 C5 C4 119.4(2) . .
C19 C5 C4 107.73(19) . .
C6 C5 Ru3 74.67(13) . .
C19 C5 Ru3 126.82(16) . .
C4 C5 Ru3 106.44(15) . .
C5 C6 C7 119.6(2) . .
C5 C6 C1 120.5(2) . .
C7 C6 C1 107.8(2) . .
C5 C6 Ru3 69.33(13) . .
C7 C6 Ru3 127.15(16) . .
C1 C6 Ru3 108.69(15) . .
C21 C7 C6 119.5(2) . .
C21 C7 C8 123.3(2) . .
C6 C7 C8 108.36(19) . .
C9 C8 C7 105.41(19) . .
C9 C8 C75 126.5(2) . .
C7 C8 C75 125.1(2) . .
C9 C8 C24 117.1(2) . .
C7 C8 C24 115.70(19) . .
C75 C8 C24 58.02(15) . .
C10 C9 C1 120.9(2) . .
C10 C9 C8 122.6(2) . .
C1 C9 C8 108.7(2) . .
C9 C10 C11 120.6(2) . .
C9 C10 C26 121.1(2) . .
C11 C10 C26 108.6(2) . .
C12 C11 C10 120.0(2) . .
C12 C11 C28 123.1(2) . .
C10 C11 C28 107.7(2) . .
C11 C12 C13 120.7(2) . .
C11 C12 C2 120.6(2) . .
C13 C12 C2 107.9(2) . .
C30 C13 C14 120.0(2) . .
C30 C13 C12 121.7(2) . .
C14 C13 C12 108.1(2) . .
C15 C14 C13 120.3(2) . .
C15 C14 C3 120.6(2) . .
C13 C14 C3 109.1(2) . .
C14 C15 C32 120.1(2) . .
C14 C15 C16 120.2(2) . .
C32 C15 C16 108.7(2) . .
C17 C16 C34 120.5(2) . .
C17 C16 C15 119.9(2) . .
C34 C16 C15 108.6(2) . .
C16 C17 C18 120.5(2) . .
C16 C17 C4 120.8(2) . .
C18 C17 C4 108.9(2) . .
C36 C18 C17 119.3(2) . .
C36 C18 C19 121.4(2) . .
C17 C18 C19 108.4(2) . .
C20 C19 C5 120.6(2) . .
C20 C19 C18 122.2(2) . .
C5 C19 C18 107.9(2) . .
C19 C20 C21 119.6(2) . .
C19 C20 C38 122.2(2) . .
C21 C20 C38 108.2(2) . .
C7 C21 C20 121.2(2) . .
C7 C21 C22 121.1(2) . .
C20 C21 C22 108.3(2) . .
C23 C22 C39 120.9(2) . .
C23 C22 C21 121.1(2) . .
C39 C22 C21 108.1(2) . .
C22 C23 C42 118.9(2) . .
C22 C23 C24 122.8(2) . .
C42 C23 C24 108.2(2) . .
C25 C24 C23 105.0(2) . .
C25 C24 C75 126.0(2) . .
C23 C24 C75 127.0(2) . .
C25 C24 C8 114.44(19) . .
C23 C24 C8 115.5(2) . .
C75 C24 C8 58.31(15) . .
C26 C25 C43 118.7(2) . .
C26 C25 C24 122.8(2) . .
C43 C25 C24 108.2(2) . .
C25 C26 C27 120.8(2) . .
C25 C26 C10 121.5(2) . .
C27 C26 C10 107.9(2) . .
C45 C27 C26 120.3(2) . .
C45 C27 C28 122.7(2) . .
C26 C27 C28 108.9(2) . .
C11 C28 C27 105.44(19) . .
C11 C28 C82 128.4(2) . .
C27 C28 C82 123.4(2) . .
C11 C28 C29 116.05(19) . .
C27 C28 C29 115.85(19) . .
C82 C28 C29 58.26(14) . .
C30 C29 C47 105.30(19) . .
C30 C29 C82 128.5(2) . .
C47 C29 C82 123.9(2) . .
C30 C29 C28 115.36(19) . .
C47 C29 C28 115.78(19) . .
C82 C29 C28 57.73(14) . .
C13 C30 C31 119.1(2) . .
C13 C30 C29 122.6(2) . .
C31 C30 C29 108.4(2) . .
C32 C31 C30 120.7(2) . .
C32 C31 C48 120.5(2) . .
C30 C31 C48 108.5(2) . .
C31 C32 C15 119.5(2) . .
C31 C32 C33 123.0(2) . .
C15 C32 C33 108.3(2) . .
C32 C33 C34 105.09(19) . .
C32 C33 C61 124.5(2) . .
C34 C33 C61 127.9(2) . .
C32 C33 C50 115.83(19) . .
C34 C33 C50 115.53(19) . .
C61 C33 C50 58.34(15) . .
C35 C34 C16 118.7(2) . .
C35 C34 C33 122.9(2) . .
C16 C34 C33 108.1(2) . .
C34 C35 C36 120.6(2) . .
C34 C35 C52 120.9(2) . .
C36 C35 C52 108.0(2) . .
C18 C36 C35 120.0(2) . .
C18 C36 C37 121.7(2) . .
C35 C36 C37 108.5(2) . .
C53 C37 C36 105.17(19) . .
C53 C37 C68 123.9(2) . .
C36 C37 C68 128.1(2) . .
C53 C37 C38 115.8(2) . .
C36 C37 C38 116.54(19) . .
C68 C37 C38 58.33(15) . .
C39 C38 C20 105.11(19) . .
C39 C38 C68 124.5(2) . .
C20 C38 C68 128.0(2) . .
C39 C38 C37 115.9(2) . .
C20 C38 C37 115.61(19) . .
C68 C38 C37 57.75(14) . .
C40 C39 C22 120.0(2) . .
C40 C39 C38 122.6(2) . .
C22 C39 C38 109.1(2) . .
C39 C40 C41 119.4(2) . .
C39 C40 C54 120.8(2) . .
C41 C40 C54 107.8(2) . .
C42 C41 C40 120.1(2) . .
C42 C41 C56 119.8(2) . .
C40 C41 C56 108.3(2) . .
C41 C42 C23 120.6(2) . .
C41 C42 C43 119.8(2) . .
C23 C42 C43 108.6(2) . .
C44 C43 C25 120.5(2) . .
C44 C43 C42 120.0(2) . .
C25 C43 C42 108.7(2) . .
C43 C44 C45 120.4(2) . .
C43 C44 C57 119.8(2) . .
C45 C44 C57 108.3(2) . .
C27 C45 C44 119.1(2) . .
C27 C45 C46 120.7(2) . .
C44 C45 C46 107.9(2) . .
C47 C46 C58 119.4(2) . .
C47 C46 C45 121.6(2) . .
C58 C46 C45 107.4(2) . .
C46 C47 C48 120.3(2) . .
C46 C47 C29 122.5(2) . .
C48 C47 C29 108.6(2) . .
C49 C48 C47 120.7(2) . .
C49 C48 C31 121.1(2) . .
C47 C48 C31 107.8(2) . .
C48 C49 C59 119.0(2) . .
C48 C49 C50 123.1(2) . .
C59 C49 C50 108.4(2) . .
C49 C50 C51 104.9(2) . .
C49 C50 C61 123.8(2) . .
C51 C50 C61 128.5(2) . .
C49 C50 C33 115.86(19) . .
C51 C50 C33 116.4(2) . .
C61 C50 C33 58.26(15) . .
C52 C51 C60 118.6(2) . .
C52 C51 C50 122.9(2) . .
C60 C51 C50 108.5(2) . .
C51 C52 C53 120.8(2) . .
C51 C52 C35 120.9(2) . .
C53 C52 C35 108.5(2) . .
C54 C53 C52 120.4(2) . .
C54 C53 C37 122.6(2) . .
C52 C53 C37 108.5(2) . .
C53 C54 C55 119.2(2) . .
C53 C54 C40 121.5(2) . .
C55 C54 C40 107.4(2) . .
C60 C55 C54 119.8(2) . .
C60 C55 C56 120.0(2) . .
C54 C55 C56 108.6(2) . .
C57 C56 C41 120.2(2) . .
C57 C56 C55 120.1(2) . .
C41 C56 C55 107.9(2) . .
C56 C57 C58 120.1(2) . .
C56 C57 C44 120.3(2) . .
C58 C57 C44 107.8(2) . .
C59 C58 C46 119.8(2) . .
C59 C58 C57 120.2(2) . .
C46 C58 C57 108.6(2) . .
C58 C59 C49 120.6(2) . .
C58 C59 C60 119.7(2) . .
C49 C59 C60 108.4(2) . .
C55 C60 C51 120.9(2) . .
C55 C60 C59 119.8(2) . .
C51 C60 C59 108.6(2) . .
C65 C61 C33 118.3(2) . .
C65 C61 C50 119.5(2) . .
C33 C61 C50 63.39(16) . .
C65 C61 C62 114.0(2) . .
C33 C61 C62 118.1(2) . .
C50 C61 C62 114.5(2) . .
O1 C62 O2 126.0(2) . .
O1 C62 C61 126.0(2) . .
O2 C62 C61 108.0(2) . .
O2 C63 C64 111.0(3) . .
O2 C63 H63A 109.4 . .
C64 C63 H63A 109.4 . .
O2 C63 H63B 109.4 . .
C64 C63 H63B 109.4 . .
H63A C63 H63B 108.0 . .
C63 C64 H64A 109.5 . .
C63 C64 H64B 109.5 . .
H64A C64 H64B 109.5 . .
C63 C64 H64C 109.5 . .
H64A C64 H64C 109.5 . .
H64B C64 H64C 109.5 . .
O3 C65 O4 125.9(2) . .
O3 C65 C61 124.3(2) . .
O4 C65 C61 109.8(2) . .
O4 C66 C67 107.6(2) . .
O4 C66 H66A 110.2 . .
C67 C66 H66A 110.2 . .
O4 C66 H66B 110.2 . .
C67 C66 H66B 110.2 . .
H66A C66 H66B 108.5 . .
C66 C67 H67A 109.5 . .
C66 C67 H67B 109.5 . .
H67A C67 H67B 109.5 . .
C66 C67 H67C 109.5 . .
H67A C67 H67C 109.5 . .
H67B C67 H67C 109.5 . .
C69 C68 C37 117.5(2) . .
C69 C68 C72 113.5(2) . .
C37 C68 C72 114.3(2) . .
C69 C68 C38 119.5(2) . .
C37 C68 C38 63.92(15) . .
C72 C68 C38 119.2(2) . .
O5 C69 O6 124.8(2) . .
O5 C69 C68 125.1(2) . .
O6 C69 C68 110.0(2) . .
O6 C70 C71 106.9(2) . .
O6 C70 H70A 110.3 . .
C71 C70 H70A 110.3 . .
O6 C70 H70B 110.3 . .
C71 C70 H70B 110.3 . .
H70A C70 H70B 108.6 . .
C70 C71 H71A 109.5 . .
C70 C71 H71B 109.5 . .
H71A C71 H71B 109.5 . .
C70 C71 H71C 109.5 . .
H71A C71 H71C 109.5 . .
H71B C71 H71C 109.5 . .
O7 C72 O8 125.7(2) . .
O7 C72 C68 123.2(2) . .
O8 C72 C68 111.2(2) . .
O8 C73 C74 110.7(3) . .
O8 C73 H73A 109.5 . .
C74 C73 H73A 109.5 . .
O8 C73 H73B 109.5 . .
C74 C73 H73B 109.5 . .
H73A C73 H73B 108.1 . .
C73 C74 H74A 109.5 . .
C73 C74 H74B 109.5 . .
H74A C74 H74B 109.5 . .
C73 C74 H74C 109.5 . .
H74A C74 H74C 109.5 . .
H74B C74 H74C 109.5 . .
C76 C75 C24 120.0(2) . .
C76 C75 C79 113.6(2) . .
C24 C75 C79 116.8(2) . .
C76 C75 C8 114.9(2) . .
C24 C75 C8 63.67(16) . .
C79 C75 C8 119.1(2) . .
O9 C76 O10 126.4(2) . .
O9 C76 C75 126.4(2) . .
O10 C76 C75 107.3(2) . .
O10 C77 C78 110.9(3) . .
O10 C77 H77A 109.5 . .
C78 C77 H77A 109.5 . .
O10 C77 H77B 109.5 . .
C78 C77 H77B 109.5 . .
H77A C77 H77B 108.0 . .
C77 C78 H78A 109.5 . .
C77 C78 H78B 109.5 . .
H78A C78 H78B 109.5 . .
C77 C78 H78C 109.5 . .
H78A C78 H78C 109.5 . .
H78B C78 H78C 109.5 . .
O11 C79 O12 123.9(3) . .
O11 C79 C75 125.1(2) . .
O12 C79 C75 110.7(2) . .
O12 C80 C81 108.7(3) . .
O12 C80 H80A 109.9 . .
C81 C80 H80A 109.9 . .
O12 C80 H80B 109.9 . .
C81 C80 H80B 109.9 . .
H80A C80 H80B 108.3 . .
C80 C81 H81A 109.5 . .
C80 C81 H81B 109.5 . .
H81A C81 H81B 109.5 . .
C80 C81 H81C 109.5 . .
H81A C81 H81C 109.5 . .
H81B C81 H81C 109.5 . .
C83 C82 C28 118.7(2) . .
C83 C82 C86 114.10(19) . .
C28 C82 C86 115.4(2) . .
C83 C82 C29 117.5(2) . .
C28 C82 C29 64.01(15) . .
C86 C82 C29 118.2(2) . .
O13 C83 O14 125.6(2) . .
O13 C83 C82 125.1(2) . .
O14 C83 C82 109.1(2) . .
C85 C84 O14 109.2(3) . .
C85 C84 H84A 109.8 . .
O14 C84 H84A 109.8 . .
C85 C84 H84B 109.8 . .
O14 C84 H84B 109.8 . .
H84A C84 H84B 108.3 . .
C84 C85 H85A 109.5 . .
C84 C85 H85B 109.5 . .
H85A C85 H85B 109.5 . .
C84 C85 H85C 109.5 . .
H85A C85 H85C 109.5 . .
H85B C85 H85C 109.5 . .
O15 C86 O16 125.4(2) . .
O15 C86 C82 123.8(2) . .
O16 C86 C82 110.8(2) . .
O16 C87 C88 106.7(2) . .
O16 C87 H87A 110.4 . .
C88 C87 H87A 110.4 . .
O16 C87 H87B 110.4 . .
C88 C87 H87B 110.4 . .
H87A C87 H87B 108.6 . .
C87 C88 H88A 109.5 . .
C87 C88 H88B 109.5 . .
H88A C88 H88B 109.5 . .
C87 C88 H88C 109.5 . .
H88A C88 H88C 109.5 . .
H88B C88 H88C 109.5 . .
O17 C89 Ru1 175.1(2) . .
O18 C90 Ru1 177.8(3) . .
O19 C91 Ru2 178.4(3) . .
O20 C92 Ru2 177.0(3) . .
O21 C93 Ru3 176.0(3) . .
O22 C94 Ru3 176.0(3) . .
O23 C95 Ru1 174.4(2) . .
O24 C96 Ru2 173.4(3) . .
O25 C97 Ru3 174.9(2) . .
C99 C98 C106 119.1(2) . .
C99 C98 C103 120.4(2) . .
C106 C98 C103 106.9(2) . .
C99 C98 Ru4 69.97(13) . .
C106 C98 Ru4 126.78(16) . .
C103 C98 Ru4 110.61(15) . .
C98 C99 C109 119.2(2) . .
C98 C99 C100 119.3(2) . .
C109 C99 C100 107.8(2) . .
C98 C99 Ru4 73.34(13) . .
C109 C99 Ru4 126.63(16) . .
C100 C99 Ru4 107.63(15) . .
C101 C100 C111 118.7(2) . .
C101 C100 C99 120.7(2) . .
C111 C100 C99 106.76(19) . .
C101 C100 Ru5 70.41(13) . .
C111 C100 Ru5 129.35(17) . .
C99 C100 Ru5 108.24(15) . .
C100 C101 C102 118.9(2) . .
C100 C101 C114 119.1(2) . .
C102 C101 C114 106.68(19) . .
C100 C101 Ru5 72.73(13) . .
C102 C101 Ru5 107.68(15) . .
C114 C101 Ru5 129.22(16) . .
C103 C102 C116 118.5(2) . .
C103 C102 C101 121.0(2) . .
C116 C102 C101 108.0(2) . .
C103 C102 Ru6 70.06(13) . .
C116 C102 Ru6 128.14(15) . .
C101 C102 Ru6 107.79(15) . .
C102 C103 C104 120.0(2) . .
C102 C103 C98 119.6(2) . .
C104 C103 C98 108.5(2) . .
C102 C103 Ru6 73.79(13) . .
C104 C103 Ru6 125.81(16) . .
C98 C103 Ru6 105.69(15) . .
C118 C104 C103 120.1(2) . .
C118 C104 C105 123.0(2) . .
C103 C104 C105 108.6(2) . .
C104 C105 C106 105.17(19) . .
C104 C105 C158 127.9(2) . .
C106 C105 C158 124.0(2) . .
C104 C105 C121 117.2(2) . .
C106 C105 C121 116.01(19) . .
C158 C105 C121 57.66(15) . .
C107 C106 C98 120.1(2) . .
C107 C106 C105 123.2(2) . .
C98 C106 C105 108.84(19) . .
C106 C107 C123 120.9(2) . .
C106 C107 C108 121.0(2) . .
C123 C107 C108 108.5(2) . .
C109 C108 C107 119.7(2) . .
C109 C108 C125 122.8(2) . .
C107 C108 C125 107.7(2) . .
C108 C109 C99 120.6(2) . .
C108 C109 C110 121.9(2) . .
C99 C109 C110 107.9(2) . .
C127 C110 C111 119.7(2) . .
C127 C110 C109 121.2(2) . .
C111 C110 C109 108.3(2) . .
C112 C111 C110 120.2(2) . .
C112 C111 C100 120.9(2) . .
C110 C111 C100 109.1(2) . .
C111 C112 C129 120.6(2) . .
C111 C112 C113 120.2(2) . .
C129 C112 C113 108.7(2) . .
C114 C113 C131 120.6(2) . .
C114 C113 C112 119.9(2) . .
C131 C113 C112 108.5(2) . .
C113 C114 C115 119.9(2) . .
C113 C114 C101 121.0(2) . .
C115 C114 C101 109.4(2) . .
C133 C115 C114 119.9(2) . .
C133 C115 C116 121.3(2) . .
C114 C115 C116 108.0(2) . .
C117 C116 C115 121.7(2) . .
C117 C116 C102 120.1(2) . .
C115 C116 C102 107.8(2) . .
C116 C117 C118 120.5(2) . .
C116 C117 C135 122.6(2) . .
C118 C117 C135 107.9(2) . .
C104 C118 C117 120.7(2) . .
C104 C118 C119 120.8(2) . .
C117 C118 C119 108.7(2) . .
C120 C119 C136 121.1(2) . .
C120 C119 C118 121.4(2) . .
C136 C119 C118 107.8(2) . .
C119 C120 C139 118.2(2) . .
C119 C120 C121 123.2(2) . .
C139 C120 C121 108.1(2) . .
C122 C121 C120 104.94(19) . .
C122 C121 C158 125.6(2) . .
C120 C121 C158 127.6(2) . .
C122 C121 C105 115.3(2) . .
C120 C121 C105 114.00(19) . .
C158 C121 C105 58.49(15) . .
C123 C122 C140 118.7(2) . .
C123 C122 C121 122.5(2) . .
C140 C122 C121 108.5(2) . .
C122 C123 C124 120.6(2) . .
C122 C123 C107 121.5(2) . .
C124 C123 C107 108.2(2) . .
C142 C124 C123 120.4(2) . .
C142 C124 C125 122.5(2) . .
C123 C124 C125 108.9(2) . .
C124 C125 C108 105.46(19) . .
C124 C125 C165 123.6(2) . .
C108 C125 C165 128.5(2) . .
C124 C125 C126 115.9(2) . .
C108 C125 C126 115.50(19) . .
C165 C125 C126 57.93(14) . .
C144 C126 C127 105.46(19) . .
C144 C126 C165 123.2(2) . .
C127 C126 C165 128.9(2) . .
C144 C126 C125 115.6(2) . .
C127 C126 C125 116.02(19) . .
C165 C126 C125 57.92(14) . .
C110 C127 C128 119.5(2) . .
C110 C127 C126 122.1(2) . .
C128 C127 C126 108.4(2) . .
C129 C128 C127 121.3(2) . .
C129 C128 C145 120.9(2) . .
C127 C128 C145 108.2(2) . .
C128 C129 C112 118.4(2) . .
C128 C129 C130 123.1(2) . .
C112 C129 C130 108.3(2) . .
C131 C130 C129 104.59(19) . .
C131 C130 C172 125.4(2) . .
C129 C130 C172 127.6(2) . .
C131 C130 C147 116.34(19) . .
C129 C130 C147 114.97(19) . .
C172 C130 C147 58.61(15) . .
C132 C131 C113 119.2(2) . .
C132 C131 C130 122.8(2) . .
C113 C131 C130 108.7(2) . .
C131 C132 C133 120.8(2) . .
C131 C132 C149 120.5(2) . .
C133 C132 C149 108.1(2) . .
C115 C133 C132 119.3(2) . .
C115 C133 C134 122.4(2) . .
C132 C133 C134 108.6(2) . .
C133 C134 C150 105.53(19) . .
C133 C134 C179 127.5(2) . .
C150 C134 C179 124.9(2) . .
C133 C134 C135 115.51(19) . .
C150 C134 C135 115.70(19) . .
C179 C134 C135 56.87(14) . .
C117 C135 C136 105.28(19) . .
C117 C135 C179 127.8(2) . .
C136 C135 C179 124.6(2) . .
C117 C135 C134 115.93(19) . .
C136 C135 C134 115.52(18) . .
C179 C135 C134 57.66(14) . .
C137 C136 C119 120.7(2) . .
C137 C136 C135 122.6(2) . .
C119 C136 C135 108.9(2) . .
C136 C137 C138 118.5(2) . .
C136 C137 C151 121.2(2) . .
C138 C137 C151 107.8(2) . .
C139 C138 C137 120.3(2) . .
C139 C138 C153 120.4(2) . .
C137 C138 C153 108.1(2) . .
C138 C139 C120 120.8(2) . .
C138 C139 C140 119.5(2) . .
C120 C139 C140 108.6(2) . .
C141 C140 C122 120.6(2) . .
C141 C140 C139 120.0(2) . .
C122 C140 C139 108.5(2) . .
C140 C141 C142 120.3(2) . .
C140 C141 C154 119.8(2) . .
C142 C141 C154 108.4(2) . .
C124 C142 C141 119.2(2) . .
C124 C142 C143 120.9(2) . .
C141 C142 C143 107.9(2) . .
C144 C143 C155 119.5(2) . .
C144 C143 C142 121.5(2) . .
C155 C143 C142 107.3(2) . .
C143 C144 C145 120.5(2) . .
C143 C144 C126 122.8(2) . .
C145 C144 C126 108.2(2) . .
C146 C145 C144 120.3(2) . .
C146 C145 C128 120.8(2) . .
C144 C145 C128 108.3(2) . .
C145 C146 C156 119.0(2) . .
C145 C146 C147 122.8(2) . .
C156 C146 C147 108.3(2) . .
C146 C147 C148 105.05(19) . .
C146 C147 C172 128.1(2) . .
C148 C147 C172 123.7(2) . .
C146 C147 C130 117.0(2) . .
C148 C147 C130 115.59(19) . .
C172 C147 C130 58.64(15) . .
C149 C148 C157 119.2(2) . .
C149 C148 C147 123.0(2) . .
C157 C148 C147 108.2(2) . .
C148 C149 C150 120.3(2) . .
C148 C149 C132 121.1(2) . .
C150 C149 C132 108.02(19) . .
C151 C150 C149 120.5(2) . .
C151 C150 C134 122.6(2) . .
C149 C150 C134 108.4(2) . .
C150 C151 C152 119.2(2) . .
C150 C151 C137 121.4(2) . .
C152 C151 C137 107.5(2) . .
C157 C152 C151 119.9(2) . .
C157 C152 C153 119.8(2) . .
C151 C152 C153 108.6(2) . .
C154 C153 C152 120.2(2) . .
C154 C153 C138 119.8(2) . .
C152 C153 C138 108.1(2) . .
C153 C154 C155 120.2(2) . .
C153 C154 C141 120.4(2) . .
C155 C154 C141 107.6(2) . .
C156 C155 C143 119.8(2) . .
C156 C155 C154 119.8(2) . .
C143 C155 C154 108.8(2) . .
C155 C156 C146 120.8(2) . .
C155 C156 C157 119.9(2) . .
C146 C156 C157 109.0(2) . .
C152 C157 C148 120.8(2) . .
C152 C157 C156 120.1(2) . .
C148 C157 C156 108.4(2) . .
C121 C158 C159 118.2(2) . .
C121 C158 C162 121.0(2) . .
C159 C158 C162 113.2(2) . .
C121 C158 C105 63.85(16) . .
C159 C158 C105 118.2(2) . .
C162 C158 C105 113.6(2) . .
O26 C159 O27 125.7(2) . .
O26 C159 C158 124.4(2) . .
O27 C159 C158 109.8(2) . .
O27 C160 C161 107.8(2) . .
O27 C160 H16A 110.1 . .
C161 C160 H16A 110.1 . .
O27 C160 H16B 110.1 . .
C161 C160 H16B 110.1 . .
H16A C160 H16B 108.5 . .
C160 C161 H16C 109.5 . .
C160 C161 H16D 109.5 . .
H16C C161 H16D 109.5 . .
C160 C161 H16E 109.5 . .
H16C C161 H16E 109.5 . .
H16D C161 H16E 109.5 . .
O28 C162 O29 125.9(2) . .
O28 C162 C158 126.7(2) . .
O29 C162 C158 107.3(2) . .
O29 C163 C164 106.2(2) . .
O29 C163 H16F 110.5 . .
C164 C163 H16F 110.5 . .
O29 C163 H16G 110.5 . .
C164 C163 H16G 110.5 . .
H16F C163 H16G 108.7 . .
C163 C164 H16H 109.5 . .
C163 C164 H16I 109.5 . .
H16H C164 H16I 109.5 . .
C163 C164 H16J 109.5 . .
H16H C164 H16J 109.5 . .
H16I C164 H16J 109.5 . .
C166 C165 C125 120.1(2) . .
C166 C165 C126 118.3(2) . .
C125 C165 C126 64.15(15) . .
C166 C165 C169 113.3(2) . .
C125 C165 C169 117.7(2) . .
C126 C165 C169 114.6(2) . .
O30 C166 O31 125.4(2) . .
O30 C166 C165 124.9(2) . .
O31 C166 C165 109.7(2) . .
O31 C167 C168 107.5(3) . .
O31 C167 H16K 110.2 . .
C168 C167 H16K 110.2 . .
O31 C167 H16L 110.2 . .
C168 C167 H16L 110.2 . .
H16K C167 H16L 108.5 . .
C167 C168 H16M 109.5 . .
C167 C168 H16N 109.5 . .
H16M C168 H16N 109.5 . .
C167 C168 H16O 109.5 . .
H16M C168 H16O 109.5 . .
H16N C168 H16O 109.5 . .
O32 C169 O33 126.0(2) . .
O32 C169 C165 123.5(2) . .
O33 C169 C165 110.5(2) . .
O33 C170 C171 109.1(3) . .
O33 C170 H17A 109.9 . .
C171 C170 H17A 109.9 . .
O33 C170 H17B 109.9 . .
C171 C170 H17B 109.9 . .
H17A C170 H17B 108.3 . .
C170 C171 H17C 109.5 . .
C170 C171 H17D 109.5 . .
H17C C171 H17D 109.5 . .
C170 C171 H17E 109.5 . .
H17C C171 H17E 109.5 . .
H17D C171 H17E 109.5 . .
C173 C172 C147 119.9(2) . .
C173 C172 C130 116.6(2) . .
C147 C172 C130 62.75(15) . .
C173 C172 C176 114.7(2) . .
C147 C172 C176 113.6(2) . .
C130 C172 C176 119.63(19) . .
O34 C173 O35 125.2(2) . .
O34 C173 C172 124.0(2) . .
O35 C173 C172 110.8(2) . .
O35 C174 C175 106.8(2) . .
O35 C174 H17F 110.4 . .
C175 C174 H17F 110.4 . .
O35 C174 H17G 110.4 . .
C175 C174 H17G 110.4 . .
H17F C174 H17G 108.6 . .
C174 C175 H17H 109.5 . .
C174 C175 H17I 109.5 . .
H17H C175 H17I 109.5 . .
C174 C175 H17J 109.5 . .
H17H C175 H17J 109.5 . .
H17I C175 H17J 109.5 . .
O36 C176 O37 125.7(2) . .
O36 C176 C172 126.1(2) . .
O37 C176 C172 108.2(2) . .
O37 C177 C178 106.8(2) . .
O37 C177 H17K 110.4 . .
C178 C177 H17K 110.4 . .
O37 C177 H17L 110.4 . .
C178 C177 H17L 110.4 . .
H17K C177 H17L 108.6 . .
C177 C178 H17M 109.5 . .
C177 C178 H17N 109.5 . .
H17M C178 H17N 109.5 . .
C177 C178 H17O 109.5 . .
H17M C178 H17O 109.5 . .
H17N C178 H17O 109.5 . .
C135 C179 C134 65.48(15) . .
C135 C179 C180 119.2(2) . .
C134 C179 C180 117.6(2) . .
C135 C179 C183 117.3(2) . .
C134 C179 C183 115.92(19) . .
C180 C179 C183 113.39(19) . .
O38 C180 O39 124.7(2) . .
O38 C180 C179 126.0(2) . .
O39 C180 C179 109.1(2) . .
C182 C181 O39 109.9(4) . .
C182 C181 H18A 109.7 . .
O39 C181 H18A 109.7 . .
C182 C181 H18B 109.7 . .
O39 C181 H18B 109.7 . .
H18A C181 H18B 108.2 . .
C181 C182 H18C 109.5 . .
C181 C182 H18D 109.5 . .
H18C C182 H18D 109.5 . .
C181 C182 H18E 109.5 . .
H18C C182 H18E 109.5 . .
H18D C182 H18E 109.5 . .
O40 C183 O41 125.8(2) . .
O40 C183 C179 123.9(2) . .
O41 C183 C179 110.3(2) . .
O41 C184 C185 107.2(2) . .
O41 C184 H18F 110.3 . .
C185 C184 H18F 110.3 . .
O41 C184 H18G 110.3 . .
C185 C184 H18G 110.3 . .
H18F C184 H18G 108.5 . .
C184 C185 H18H 109.5 . .
C184 C185 H18I 109.5 . .
H18H C185 H18I 109.5 . .
C184 C185 H18J 109.5 . .
H18H C185 H18J 109.5 . .
H18I C185 H18J 109.5 . .
O42 C186 Ru4 174.5(2) . .
O43 C187 Ru4 173.7(2) . .
O44 C188 Ru5 178.8(3) . .
O45 C189 Ru5 176.5(3) . .
O46 C190 Ru6 179.5(3) . .
O47 C191 Ru6 178.8(3) . .
O48 C192 Ru4 173.4(3) . .
O49 C193 Ru5 175.5(3) . .
O50 C194 Ru6 173.9(2) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C89 1.914(3) .
Ru1 C95 1.922(3) .
Ru1 C90 1.922(3) .
Ru1 C1 2.241(2) .
Ru1 C2 2.284(2) .
Ru1 Ru3 2.8720(3) .
Ru1 Ru2 2.9006(3) .
Ru2 C92 1.901(3) .
Ru2 C96 1.907(3) .
Ru2 C91 1.928(3) .
Ru2 C3 2.255(2) .
Ru2 C4 2.257(2) .
Ru2 Ru3 2.8584(3) .
Ru3 C94 1.905(3) .
Ru3 C97 1.917(3) .
Ru3 C93 1.923(3) .
Ru3 C5 2.267(2) .
Ru3 C6 2.336(2) .
Ru4 C186 1.907(3) .
Ru4 C192 1.921(3) .
Ru4 C187 1.926(3) .
Ru4 C99 2.245(2) .
Ru4 C98 2.289(2) .
Ru4 Ru5 2.8721(3) .
Ru4 Ru6 2.8947(3) .
Ru5 C188 1.912(3) .
Ru5 C189 1.914(3) .
Ru5 C193 1.927(3) .
Ru5 C101 2.249(2) .
Ru5 C100 2.279(2) .
Ru5 Ru6 2.8627(3) .
Ru6 C194 1.908(3) .
Ru6 C190 1.916(3) .
Ru6 C191 1.936(3) .
Ru6 C103 2.268(2) .
Ru6 C102 2.317(2) .
O1 C62 1.199(3) .
O2 C62 1.332(3) .
O2 C63 1.456(3) .
O3 C65 1.197(3) .
O4 C65 1.331(3) .
O4 C66 1.461(3) .
O5 C69 1.199(3) .
O6 C69 1.338(3) .
O6 C70 1.469(3) .
O7 C72 1.203(3) .
O8 C72 1.327(3) .
O8 C73 1.467(3) .
O9 C76 1.196(3) .
O10 C76 1.332(3) .
O10 C77 1.462(3) .
O11 C79 1.188(3) .
O12 C79 1.319(3) .
O12 C80 1.470(4) .
O13 C83 1.195(3) .
O14 C83 1.348(3) .
O14 C84 1.487(4) .
O15 C86 1.202(3) .
O16 C86 1.334(3) .
O16 C87 1.459(3) .
O17 C89 1.140(3) .
O18 C90 1.134(3) .
O19 C91 1.133(4) .
O20 C92 1.143(4) .
O21 C93 1.127(4) .
O22 C94 1.139(4) .
O23 C95 1.141(3) .
O24 C96 1.135(4) .
O25 C97 1.137(3) .
O26 C159 1.199(3) .
O27 C159 1.336(3) .
O27 C160 1.466(3) .
O28 C162 1.200(3) .
O29 C162 1.341(3) .
O29 C163 1.451(3) .
O30 C166 1.199(3) .
O31 C166 1.336(3) .
O31 C167 1.459(3) .
O32 C169 1.203(3) .
O33 C169 1.332(3) .
O33 C170 1.467(3) .
O34 C173 1.200(3) .
O35 C173 1.332(3) .
O35 C174 1.460(3) .
O36 C176 1.194(3) .
O37 C176 1.343(3) .
O37 C177 1.462(3) .
O38 C180 1.171(3) .
O39 C180 1.309(3) .
O39 C181 1.473(4) .
O40 C183 1.198(3) .
O41 C183 1.331(3) .
O41 C184 1.464(3) .
O42 C186 1.143(3) .
O43 C187 1.132(3) .
O44 C188 1.142(4) .
O45 C189 1.137(4) .
O46 C190 1.135(3) .
O47 C191 1.130(4) .
O48 C192 1.139(4) .
O49 C193 1.141(3) .
O50 C194 1.141(3) .
C1 C2 1.430(3) .
C1 C9 1.453(3) .
C1 C6 1.475(3) .
C2 C3 1.468(3) .
C2 C12 1.470(3) .
C3 C4 1.423(3) .
C3 C14 1.472(3) .
C4 C17 1.470(3) .
C4 C5 1.476(3) .
C5 C6 1.424(3) .
C5 C19 1.461(3) .
C6 C7 1.457(3) .
C7 C21 1.378(3) .
C7 C8 1.490(3) .
C8 C9 1.482(3) .
C8 C75 1.521(3) .
C8 C24 1.603(3) .
C9 C10 1.367(3) .
C10 C11 1.457(3) .
C10 C26 1.461(3) .
C11 C12 1.374(3) .
C11 C28 1.488(3) .
C12 C13 1.469(3) .
C13 C30 1.391(3) .
C13 C14 1.431(3) .
C14 C15 1.390(3) .
C15 C32 1.422(3) .
C15 C16 1.459(3) .
C16 C17 1.395(3) .
C16 C34 1.426(3) .
C17 C18 1.432(3) .
C18 C36 1.387(3) .
C18 C19 1.468(3) .
C19 C20 1.370(3) .
C20 C21 1.461(3) .
C20 C38 1.495(3) .
C21 C22 1.465(3) .
C22 C23 1.388(3) .
C22 C39 1.445(3) .
C23 C42 1.431(3) .
C23 C24 1.496(3) .
C24 C25 1.490(3) .
C24 C75 1.517(3) .
C25 C26 1.391(3) .
C25 C43 1.434(3) .
C26 C27 1.437(3) .
C27 C45 1.386(3) .
C27 C28 1.490(3) .
C28 C82 1.514(3) .
C28 C29 1.610(3) .
C29 C30 1.487(3) .
C29 C47 1.489(3) .
C29 C82 1.523(3) .
C30 C31 1.434(3) .
C31 C32 1.393(3) .
C31 C48 1.470(3) .
C32 C33 1.492(3) .
C33 C34 1.494(3) .
C33 C61 1.516(3) .
C33 C50 1.593(3) .
C34 C35 1.398(3) .
C35 C36 1.438(3) .
C35 C52 1.466(3) .
C36 C37 1.490(3) .
C37 C53 1.488(3) .
C37 C68 1.514(3) .
C37 C38 1.608(3) .
C38 C39 1.490(3) .
C38 C68 1.524(3) .
C39 C40 1.388(3) .
C40 C41 1.441(3) .
C40 C54 1.474(3) .
C41 C42 1.402(3) .
C41 C56 1.449(3) .
C42 C43 1.453(3) .
C43 C44 1.396(3) .
C44 C45 1.438(3) .
C44 C57 1.453(3) .
C45 C46 1.473(3) .
C46 C47 1.384(3) .
C46 C58 1.442(3) .
C47 C48 1.438(3) .
C48 C49 1.385(3) .
C49 C59 1.433(3) .
C49 C50 1.489(3) .
C50 C51 1.490(3) .
C50 C61 1.517(3) .
C51 C52 1.389(3) .
C51 C60 1.427(3) .
C52 C53 1.433(3) .
C53 C54 1.384(4) .
C54 C55 1.439(3) .
C55 C60 1.400(3) .
C55 C56 1.451(3) .
C56 C57 1.384(3) .
C57 C58 1.450(3) .
C58 C59 1.398(3) .
C59 C60 1.453(3) .
C61 C65 1.508(3) .
C61 C62 1.520(3) .
C63 C64 1.495(5) .
C63 H63A 0.9900 .
C63 H63B 0.9900 .
C64 H64A 0.9800 .
C64 H64B 0.9800 .
C64 H64C 0.9800 .
C66 C67 1.492(4) .
C66 H66A 0.9900 .
C66 H66B 0.9900 .
C67 H67A 0.9800 .
C67 H67B 0.9800 .
C67 H67C 0.9800 .
C68 C69 1.514(4) .
C68 C72 1.520(3) .
C70 C71 1.502(4) .
C70 H70A 0.9900 .
C70 H70B 0.9900 .
C71 H71A 0.9800 .
C71 H71B 0.9800 .
C71 H71C 0.9800 .
C73 C74 1.506(5) .
C73 H73A 0.9900 .
C73 H73B 0.9900 .
C74 H74A 0.9800 .
C74 H74B 0.9800 .
C74 H74C 0.9800 .
C75 C76 1.509(3) .
C75 C79 1.518(3) .
C77 C78 1.503(6) .
C77 H77A 0.9900 .
C77 H77B 0.9900 .
C78 H78A 0.9800 .
C78 H78B 0.9800 .
C78 H78C 0.9800 .
C80 C81 1.481(5) .
C80 H80A 0.9900 .
C80 H80B 0.9900 .
C81 H81A 0.9800 .
C81 H81B 0.9800 .
C81 H81C 0.9800 .
C82 C83 1.507(3) .
C82 C86 1.519(3) .
C84 C85 1.485(5) .
C84 H84A 0.9900 .
C84 H84B 0.9900 .
C85 H85A 0.9800 .
C85 H85B 0.9800 .
C85 H85C 0.9800 .
C87 C88 1.509(4) .
C87 H87A 0.9900 .
C87 H87B 0.9900 .
C88 H88A 0.9800 .
C88 H88B 0.9800 .
C88 H88C 0.9800 .
C98 C99 1.428(3) .
C98 C106 1.456(3) .
C98 C103 1.473(3) .
C99 C109 1.465(3) .
C99 C100 1.476(3) .
C100 C101 1.432(3) .
C100 C111 1.473(3) .
C101 C102 1.470(3) .
C101 C114 1.474(3) .
C102 C103 1.424(3) .
C102 C116 1.470(3) .
C103 C104 1.450(3) .
C104 C118 1.373(3) .
C104 C105 1.478(3) .
C105 C106 1.491(3) .
C105 C158 1.525(3) .
C105 C121 1.605(3) .
C106 C107 1.377(3) .
C107 C123 1.461(3) .
C107 C108 1.462(3) .
C108 C109 1.367(3) .
C108 C125 1.493(3) .
C109 C110 1.466(3) .
C110 C127 1.392(3) .
C110 C111 1.432(3) .
C111 C112 1.399(3) .
C112 C129 1.430(3) .
C112 C113 1.461(3) .
C113 C114 1.391(3) .
C113 C131 1.425(3) .
C114 C115 1.433(3) .
C115 C133 1.394(3) .
C115 C116 1.468(3) .
C116 C117 1.375(3) .
C117 C118 1.448(3) .
C117 C135 1.484(3) .
C118 C119 1.463(3) .
C119 C120 1.390(3) .
C119 C136 1.434(3) .
C120 C139 1.434(3) .
C120 C121 1.495(3) .
C121 C122 1.491(3) .
C121 C158 1.511(3) .
C122 C123 1.395(3) .
C122 C140 1.430(3) .
C123 C124 1.440(3) .
C124 C142 1.385(3) .
C124 C125 1.491(3) .
C125 C165 1.519(3) .
C125 C126 1.614(3) .
C126 C144 1.484(3) .
C126 C127 1.489(3) .
C126 C165 1.519(3) .
C127 C128 1.434(3) .
C128 C129 1.396(3) .
C128 C145 1.465(3) .
C129 C130 1.503(3) .
C130 C131 1.496(3) .
C130 C172 1.522(3) .
C130 C147 1.584(3) .
C131 C132 1.389(3) .
C132 C133 1.438(3) .
C132 C149 1.471(3) .
C133 C134 1.485(3) .
C134 C150 1.485(3) .
C134 C179 1.511(3) .
C134 C135 1.628(3) .
C135 C136 1.491(3) .
C135 C179 1.498(3) .
C136 C137 1.385(3) .
C137 C138 1.445(3) .
C137 C151 1.472(3) .
C138 C139 1.398(3) .
C138 C153 1.451(3) .
C139 C140 1.457(3) .
C140 C141 1.399(3) .
C141 C142 1.436(3) .
C141 C154 1.452(3) .
C142 C143 1.474(3) .
C143 C144 1.380(3) .
C143 C155 1.436(3) .
C144 C145 1.439(3) .
C145 C146 1.391(3) .
C146 C156 1.425(3) .
C146 C147 1.486(3) .
C147 C148 1.494(3) .
C147 C172 1.521(3) .
C148 C149 1.390(3) .
C148 C157 1.429(3) .
C149 C150 1.442(3) .
C150 C151 1.388(3) .
C151 C152 1.441(3) .
C152 C157 1.397(3) .
C152 C153 1.448(3) .
C153 C154 1.389(3) .
C154 C155 1.450(3) .
C155 C156 1.399(3) .
C156 C157 1.448(3) .
C158 C159 1.515(3) .
C158 C162 1.516(3) .
C160 C161 1.504(4) .
C160 H16A 0.9900 .
C160 H16B 0.9900 .
C161 H16C 0.9800 .
C161 H16D 0.9800 .
C161 H16E 0.9800 .
C163 C164 1.507(4) .
C163 H16F 0.9900 .
C163 H16G 0.9900 .
C164 H16H 0.9800 .
C164 H16I 0.9800 .
C164 H16J 0.9800 .
C165 C166 1.511(3) .
C165 C169 1.525(3) .
C167 C168 1.502(4) .
C167 H16K 0.9900 .
C167 H16L 0.9900 .
C168 H16M 0.9800 .
C168 H16N 0.9800 .
C168 H16O 0.9800 .
C170 C171 1.514(5) .
C170 H17A 0.9900 .
C170 H17B 0.9900 .
C171 H17C 0.9800 .
C171 H17D 0.9800 .
C171 H17E 0.9800 .
C172 C173 1.515(3) .
C172 C176 1.525(3) .
C174 C175 1.504(4) .
C174 H17F 0.9900 .
C174 H17G 0.9900 .
C175 H17H 0.9800 .
C175 H17I 0.9800 .
C175 H17J 0.9800 .
C177 C178 1.511(4) .
C177 H17K 0.9900 .
C177 H17L 0.9900 .
C178 H17M 0.9800 .
C178 H17N 0.9800 .
C178 H17O 0.9800 .
C179 C180 1.518(3) .
C179 C183 1.521(3) .
C181 C182 1.468(8) .
C181 H18A 0.9900 .
C181 H18B 0.9900 .
C182 H18C 0.9800 .
C182 H18D 0.9800 .
C182 H18E 0.9800 .
C184 C185 1.506(4) .
C184 H18F 0.9900 .
C184 H18G 0.9900 .
C185 H18H 0.9800 .
C185 H18I 0.9800 .
C185 H18J 0.9800 .
