#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/48/4084867.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_4084867
loop_
_publ_author_name
'Samouei, Hamidreza'
'Miloserdov, Fedor M.'
'Escudero-Adán, Eduardo C.'
'Grushin, Vladimir V.'
_publ_section_title
;
 Solid-State Structure and Solution Reactivity of [(Ph3P)4Ru(H)2] and
 Related Ru(II) Complexes Used in Catalysis: A Reinvestigation
;
_journal_issue                   24
_journal_name_full               Organometallics
_journal_page_first              7279
_journal_paper_doi               10.1021/om5010572
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C88.5 H77 P4.5 Ru'
_chemical_formula_weight         1380.93
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2012
_cell_angle_alpha                94.128(6)
_cell_angle_beta                 106.101(6)
_cell_angle_gamma                119.779(4)
_cell_formula_units_Z            4
_cell_length_a                   18.932(3)
_cell_length_b                   18.990(3)
_cell_length_c                   23.742(5)
_cell_measurement_reflns_used    9917
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.16
_cell_measurement_theta_min      2.24
_cell_volume                     6889(2)
_computing_cell_refinement       'Bruker APEX2 v2011.4-0'
_computing_data_collection       'Bruker APEX2 v2011.4-0'
_computing_data_reduction        'Bruker SAINT V7.60A'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2012 (Sheldrick, 2012)'
_computing_structure_solution    Sir2011
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 512
_diffrn_detector_type            '4K CCD area detector APEX II'
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.951
_diffrn_measurement_device_type  'Kappa 4-axis goniometer bruker-nonius'
_diffrn_measurement_method
;
 Fullsphere data collection, phi and omega scans
;
_diffrn_measurement_specimen_support 'magnetic support with MicroMount'
_diffrn_radiation_monochromator  'Multilayer Montel 200 mirrors'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0527
_diffrn_reflns_av_unetI/netI     0.1040
_diffrn_reflns_Laue_measured_fraction_full 0.986
_diffrn_reflns_Laue_measured_fraction_max 0.951
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_point_group_measured_fraction_full 0.986
_diffrn_reflns_point_group_measured_fraction_max 0.951
_diffrn_reflns_theta_full        25.000
_diffrn_reflns_theta_max         29.341
_diffrn_reflns_theta_min         0.922
_diffrn_source                   'Rotating anode X-ray tube'
_diffrn_source_current           70
_diffrn_source_power             50
_diffrn_source_size              '0.3 mm x 0.3 mm fine focus'
_diffrn_source_type              'Bruker-Nonius FR 591'
_exptl_absorpt_coefficient_mu    0.380
_exptl_absorpt_correction_T_max  0.9962
_exptl_absorpt_correction_T_min  0.9278
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
; 
 SADABS Version 2008/1 Bruker-Nonius
 Blessing, Acta Cryst. (1995) A51 33-38
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.331
_exptl_crystal_description       plate
_exptl_crystal_F_000             2878
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.01
_refine_diff_density_max         2.659
_refine_diff_density_min         -2.525
_refine_diff_density_rms         0.128
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.108
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1690
_refine_ls_number_reflns         35951
_refine_ls_number_restraints     4
_refine_ls_restrained_S_all      1.108
_refine_ls_R_factor_all          0.1449
_refine_ls_R_factor_gt           0.0946
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[σ²(Fo²)+(0.0552P)²+42.8342P]
 where P=(Fo²+2Fc²)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2096
_refine_ls_wR_factor_ref         0.2297
_reflns_Friedel_coverage         0.000
_reflns_number_gt                23231
_reflns_number_total             35951
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om5010572_si_001.cif
_cod_data_source_block           HRS171
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/home/saulius/struct/COD-crude-data--automatic-downloads/rss-feeds/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2935 2014-11-11 08:27:57Z andrius 

 Adding full bibliography for 4084867--4084875.cif.
;
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C88.50 H77 P4.50 Ru'
_cod_database_code               4084867
#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   0.928
_shelx_estimated_absorpt_t_max   0.996
_shelxl_version_number           2012-9
#END Tags that were not found in dictionaries
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
C1A C 0.6149(4) 0.4853(3) 0.3864(3) 0.0221(12) Uani 1 1 d . .
C2A C 0.6685(4) 0.5228(4) 0.4461(3) 0.0268(12) Uani 1 1 d . .
H2A H 0.6697 0.4887 0.4733 0.032 Uiso 1 1 calc R U
C3A C 0.7212(4) 0.6096(4) 0.4676(3) 0.0345(15) Uani 1 1 d . .
H3A H 0.7577 0.6345 0.5091 0.041 Uiso 1 1 calc R U
C4A C 0.7199(4) 0.6588(4) 0.4282(3) 0.0367(16) Uani 1 1 d . .
H4A H 0.7557 0.7181 0.4425 0.044 Uiso 1 1 calc R U
C5A C 0.6673(4) 0.6226(4) 0.3685(3) 0.0337(15) Uani 1 1 d . .
H5A H 0.6675 0.6569 0.3412 0.040 Uiso 1 1 calc R U
C6A C 0.6128(4) 0.5348(4) 0.3473(3) 0.0268(12) Uani 1 1 d . .
H6A H 0.5747 0.5099 0.3061 0.032 Uiso 1 1 calc R U
C7A C 0.4512(4) 0.3516(3) 0.3798(3) 0.0195(11) Uani 1 1 d . .
C8A C 0.4415(4) 0.4164(4) 0.3989(3) 0.0313(14) Uani 1 1 d . .
H8A H 0.4864 0.4730 0.4048 0.038 Uiso 1 1 calc R U
C9A C 0.3657(4) 0.3982(4) 0.4094(3) 0.0369(16) Uani 1 1 d . .
H9A H 0.3600 0.4426 0.4234 0.044 Uiso 1 1 calc R U
C10A C 0.2980(4) 0.3147(4) 0.3995(3) 0.0351(15) Uani 1 1 d . .
H10A H 0.2458 0.3025 0.4054 0.042 Uiso 1 1 calc R U
C11A C 0.3080(4) 0.2506(3) 0.3811(3) 0.0252(12) Uani 1 1 d . .
H11A H 0.2630 0.1940 0.3750 0.030 Uiso 1 1 calc R U
C12A C 0.3833(4) 0.2687(3) 0.3717(3) 0.0237(12) Uani 1 1 d . .
H12A H 0.3895 0.2240 0.3593 0.028 Uiso 1 1 calc R U
C13A C 0.5012(3) 0.3569(3) 0.2794(3) 0.0192(11) Uani 1 1 d . .
C14A C 0.4200(4) 0.3446(3) 0.2496(3) 0.0234(12) Uani 1 1 d . .
H14A H 0.3836 0.3393 0.2718 0.028 Uiso 1 1 calc R U
C15A C 0.3910(4) 0.3399(4) 0.1882(3) 0.0263(12) Uani 1 1 d . .
H15A H 0.3357 0.3322 0.1688 0.032 Uiso 1 1 calc R U
C16A C 0.4434(4) 0.3466(4) 0.1552(3) 0.0276(13) Uani 1 1 d . .
H16A H 0.4238 0.3426 0.1130 0.033 Uiso 1 1 calc R U
C17A C 0.5245(4) 0.3592(4) 0.1845(3) 0.0297(13) Uani 1 1 d . .
H17A H 0.5611 0.3648 0.1624 0.036 Uiso 1 1 calc R U
C18A C 0.5526(4) 0.3636(3) 0.2454(3) 0.0230(11) Uani 1 1 d . .
H18A H 0.6080 0.3713 0.2646 0.028 Uiso 1 1 calc R U
C19A C 0.4110(4) 0.1061(3) 0.3831(3) 0.0229(12) Uani 1 1 d . .
C20A C 0.4248(4) 0.1291(4) 0.4434(3) 0.0298(13) Uani 1 1 d . .
H20A H 0.4828 0.1667 0.4712 0.036 Uiso 1 1 calc R U
C21A C 0.3563(5) 0.0990(5) 0.4647(3) 0.0386(16) Uani 1 1 d . .
H21A H 0.3674 0.1160 0.5064 0.046 Uiso 1 1 calc R U
C22A C 0.2715(5) 0.0439(5) 0.4245(4) 0.0413(18) Uani 1 1 d . .
H22A H 0.2245 0.0224 0.4388 0.050 Uiso 1 1 calc R U
C23A C 0.2553(4) 0.0203(4) 0.3637(3) 0.0360(15) Uani 1 1 d . .
H23A H 0.1970 -0.0165 0.3361 0.043 Uiso 1 1 calc R U
C24A C 0.3244(4) 0.0504(3) 0.3425(3) 0.0279(13) Uani 1 1 d . .
H24A H 0.3131 0.0334 0.3007 0.034 Uiso 1 1 calc R U
C25A C 0.4468(3) 0.1048(3) 0.2755(3) 0.0203(11) Uani 1 1 d . .
C26A C 0.4149(4) 0.1463(3) 0.2410(3) 0.0272(13) Uani 1 1 d . .
H26A H 0.4236 0.1969 0.2607 0.033 Uiso 1 1 calc R U
C27A C 0.3709(4) 0.1159(4) 0.1791(3) 0.0354(15) Uani 1 1 d . .
H27A H 0.3502 0.1457 0.1568 0.043 Uiso 1 1 calc R U
C28A C 0.3569(4) 0.0423(4) 0.1493(3) 0.0347(15) Uani 1 1 d . .
H28A H 0.3272 0.0216 0.1066 0.042 Uiso 1 1 calc R U
C29A C 0.3872(4) -0.0011(4) 0.1828(3) 0.0343(15) Uani 1 1 d . .
H29A H 0.3776 -0.0521 0.1630 0.041 Uiso 1 1 calc R U
C30A C 0.4312(4) 0.0299(4) 0.2448(3) 0.0271(13) Uani 1 1 d . .
H30A H 0.4513 -0.0003 0.2671 0.033 Uiso 1 1 calc R U
C31A C 0.5395(4) 0.0760(3) 0.3760(3) 0.0210(11) Uani 1 1 d . .
C32A C 0.4919(4) 0.0045(3) 0.3935(3) 0.0284(13) Uani 1 1 d . .
H32A H 0.4395 -0.0071 0.3986 0.034 Uiso 1 1 calc R U
C33A C 0.5189(5) -0.0514(4) 0.4039(4) 0.0403(17) Uani 1 1 d . .
H33A H 0.4856 -0.1001 0.4164 0.048 Uiso 1 1 calc R U
C34A C 0.5951(4) -0.0347(4) 0.3957(3) 0.0339(15) Uani 1 1 d . .
H34A H 0.6136 -0.0727 0.4018 0.041 Uiso 1 1 calc R U
C35A C 0.6439(4) 0.0366(4) 0.3788(3) 0.0263(12) Uani 1 1 d . .
H35A H 0.6965 0.0482 0.3740 0.032 Uiso 1 1 calc R U
C36A C 0.6167(4) 0.0915(3) 0.3688(3) 0.0247(12) Uani 1 1 d . .
H36A H 0.6508 0.1404 0.3570 0.030 Uiso 1 1 calc R U
C37A C 0.8150(4) 0.4416(3) 0.3797(2) 0.0196(11) Uani 1 1 d . .
C38A C 0.7920(4) 0.5004(3) 0.3696(3) 0.0223(11) Uani 1 1 d . .
H38A H 0.7322 0.4828 0.3562 0.027 Uiso 1 1 calc R U
C39A C 0.8553(4) 0.5840(3) 0.3789(3) 0.0255(12) Uani 1 1 d . .
H39A H 0.8388 0.6232 0.3717 0.031 Uiso 1 1 calc R U
C40A C 0.9422(4) 0.6103(4) 0.3986(3) 0.0308(14) Uani 1 1 d . .
H40A H 0.9856 0.6676 0.4045 0.037 Uiso 1 1 calc R U
C41A C 0.9661(4) 0.5533(4) 0.4098(3) 0.0300(13) Uani 1 1 d . .
H41A H 1.0261 0.5718 0.4244 0.036 Uiso 1 1 calc R U
C42A C 0.9029(4) 0.4689(3) 0.3998(3) 0.0251(12) Uani 1 1 d . .
H42A H 0.9199 0.4299 0.4069 0.030 Uiso 1 1 calc R U
C43A C 0.7922(3) 0.2842(3) 0.3854(3) 0.0190(11) Uani 1 1 d . .
C44A C 0.8198(4) 0.2842(4) 0.4461(3) 0.0258(12) Uani 1 1 d . .
H44A H 0.8027 0.3056 0.4735 0.031 Uiso 1 1 calc R U
C45A C 0.8722(4) 0.2534(4) 0.4670(3) 0.0330(14) Uani 1 1 d . .
H45A H 0.8915 0.2542 0.5086 0.040 Uiso 1 1 calc R U
C46A C 0.8965(4) 0.2212(4) 0.4271(3) 0.0383(16) Uani 1 1 d . .
H46A H 0.9321 0.1996 0.4414 0.046 Uiso 1 1 calc R U
C47A C 0.8696(4) 0.2203(4) 0.3673(3) 0.0352(15) Uani 1 1 d . .
H47A H 0.8861 0.1977 0.3401 0.042 Uiso 1 1 calc R U
C48A C 0.8175(4) 0.2528(4) 0.3457(3) 0.0254(12) Uani 1 1 d . .
H48A H 0.7999 0.2532 0.3042 0.030 Uiso 1 1 calc R U
C49A C 0.7007(4) 0.3039(3) 0.2791(3) 0.0207(11) Uani 1 1 d . .
C50A C 0.7493(4) 0.3584(3) 0.2493(3) 0.0237(12) Uani 1 1 d . .
H50A H 0.7976 0.4128 0.2718 0.028 Uiso 1 1 calc R U
C51A C 0.7287(4) 0.3351(4) 0.1875(3) 0.0288(13) Uani 1 1 d . .
H51A H 0.7626 0.3734 0.1680 0.035 Uiso 1 1 calc R U
C52A C 0.6583(4) 0.2553(4) 0.1540(3) 0.0278(13) Uani 1 1 d . .
H52A H 0.6432 0.2393 0.1114 0.033 Uiso 1 1 calc R U
C53A C 0.6106(4) 0.1996(4) 0.1827(3) 0.0317(14) Uani 1 1 d . .
H53A H 0.5635 0.1447 0.1601 0.038 Uiso 1 1 calc R U
C54A C 0.6310(4) 0.2235(4) 0.2448(3) 0.0276(13) Uani 1 1 d . .
H54A H 0.5973 0.1848 0.2640 0.033 Uiso 1 1 calc R U
C55A C 0.7621(3) 0.4436(3) 0.5488(3) 0.0192(11) Uani 1 1 d . .
C56A C 0.8329(4) 0.4817(3) 0.5290(3) 0.0220(11) Uani 1 1 d . .
H56A H 0.8319 0.4518 0.4946 0.026 Uiso 1 1 calc R U
C57A C 0.9046(4) 0.5627(3) 0.5590(3) 0.0247(12) Uani 1 1 d . .
H57A H 0.9521 0.5873 0.5452 0.030 Uiso 1 1 calc R U
C58A C 0.9066(4) 0.6073(4) 0.6091(3) 0.0260(12) Uani 1 1 d . .
H58A H 0.9554 0.6624 0.6296 0.031 Uiso 1 1 calc R U
C59A C 0.8371(4) 0.5710(4) 0.6291(3) 0.0265(12) Uani 1 1 d . .
H59A H 0.8379 0.6016 0.6631 0.032 Uiso 1 1 calc R U
C60A C 0.7657(4) 0.4895(3) 0.5993(3) 0.0235(12) Uani 1 1 d . .
H60A H 0.7188 0.4649 0.6136 0.028 Uiso 1 1 calc R U
C61A C 0.5968(4) 0.3240(3) 0.5485(3) 0.0206(11) Uani 1 1 d . .
C62A C 0.5413(4) 0.3531(3) 0.5284(3) 0.0216(11) Uani 1 1 d . .
H62A H 0.5407 0.3752 0.4937 0.026 Uiso 1 1 calc R U
C63A C 0.4873(4) 0.3498(3) 0.5590(3) 0.0244(12) Uani 1 1 d . .
H63A H 0.4496 0.3690 0.5447 0.029 Uiso 1 1 calc R U
C64A C 0.4879(4) 0.3188(4) 0.6098(3) 0.0261(12) Uani 1 1 d . .
H64A H 0.4517 0.3178 0.6310 0.031 Uiso 1 1 calc R U
C65A C 0.5417(4) 0.2889(4) 0.6297(3) 0.0287(13) Uani 1 1 d . .
H65A H 0.5413 0.2660 0.6640 0.034 Uiso 1 1 calc R U
C66A C 0.5963(4) 0.2927(3) 0.5993(3) 0.0244(12) Uani 1 1 d . .
H66A H 0.6339 0.2734 0.6138 0.029 Uiso 1 1 calc R U
C67A C 0.7161(4) 0.2780(3) 0.5476(3) 0.0192(11) Uani 1 1 d . .
C68A C 0.7941(4) 0.3177(4) 0.5978(3) 0.0239(12) Uani 1 1 d . .
H68A H 0.8276 0.3771 0.6115 0.029 Uiso 1 1 calc R U
C69A C 0.8237(4) 0.2718(4) 0.6282(3) 0.0262(12) Uani 1 1 d . .
H69A H 0.8767 0.2999 0.6623 0.031 Uiso 1 1 calc R U
C70A C 0.7758(4) 0.1854(4) 0.6086(3) 0.0301(14) Uani 1 1 d . .
H70A H 0.7957 0.1540 0.6294 0.036 Uiso 1 1 calc R U
C71A C 0.6981(4) 0.1442(4) 0.5582(3) 0.0268(13) Uani 1 1 d . .
H71A H 0.6650 0.0848 0.5444 0.032 Uiso 1 1 calc R U
C72A C 0.6700(4) 0.1904(3) 0.5287(3) 0.0238(12) Uani 1 1 d . .
H72A H 0.6173 0.1619 0.4943 0.029 Uiso 1 1 calc R U
P1A P 0.54642(9) 0.36873(8) 0.36207(7) 0.0184(3) Uani 1 1 d . .
P2A P 0.50548(9) 0.15045(8) 0.35814(7) 0.0206(3) Uani 1 1 d . .
P3A P 0.67063(9) 0.33468(8) 0.50714(7) 0.0186(3) Uani 1 1 d . .
P4A P 0.72511(9) 0.33004(8) 0.36158(7) 0.0192(3) Uani 1 1 d . .
Ru1A Ru 0.61226(4) 0.29467(3) 0.40075(2) 0.03197(13) Uani 1 1 d D .
H1RA H 0.5594 0.2695 0.3284 0.038 Uiso 1 1 d DR U
H1RB H 0.639(4) 0.231(3) 0.431(3) 0.038 Uiso 1 1 d D U
C1B C 0.9050(4) 1.1073(3) 0.2110(2) 0.0178(10) Uani 1 1 d . .
C2B C 0.9638(4) 1.1887(3) 0.2090(3) 0.0274(13) Uani 1 1 d . .
H2B H 1.0210 1.2048 0.2115 0.033 Uiso 1 1 calc R U
C3B C 0.9384(4) 1.2462(4) 0.2032(3) 0.0313(14) Uani 1 1 d . .
H3B H 0.9792 1.3016 0.2026 0.038 Uiso 1 1 calc R U
C4B C 0.8553(4) 1.2243(4) 0.1982(3) 0.0295(13) Uani 1 1 d . .
H4B H 0.8385 1.2637 0.1941 0.035 Uiso 1 1 calc R U
C5B C 0.7969(4) 1.1432(4) 0.1995(3) 0.0269(13) Uani 1 1 d . .
H5B H 0.7392 1.1269 0.1958 0.032 Uiso 1 1 calc R U
C6B C 0.8216(4) 1.0856(3) 0.2062(2) 0.0199(11) Uani 1 1 d . .
H6B H 0.7808 1.0307 0.2074 0.024 Uiso 1 1 calc R U
C7B C 1.0316(3) 1.0776(3) 0.1989(2) 0.0174(10) Uani 1 1 d . .
C8B C 1.0144(4) 1.0727(3) 0.1369(3) 0.0237(12) Uani 1 1 d . .
H8B H 0.9559 1.0470 0.1098 0.028 Uiso 1 1 calc R U
C9B C 1.0813(4) 1.1047(4) 0.1150(3) 0.0257(12) Uani 1 1 d . .
H9B H 1.0683 1.1007 0.0728 0.031 Uiso 1 1 calc R U
C10B C 1.1667(4) 1.1422(4) 0.1530(3) 0.0274(13) Uani 1 1 d . .
H10B H 1.2122 1.1634 0.1371 0.033 Uiso 1 1 calc R U
C11B C 1.1860(4) 1.1490(4) 0.2141(3) 0.0273(13) Uani 1 1 d . .
H11B H 1.2450 1.1752 0.2406 0.033 Uiso 1 1 calc R U
C12B C 1.1187(4) 1.1171(3) 0.2374(3) 0.0214(11) Uani 1 1 d . .
H12B H 1.1324 1.1224 0.2798 0.026 Uiso 1 1 calc R U
C13B C 1.0004(3) 1.0751(3) 0.3078(2) 0.0170(10) Uani 1 1 d . .
C14B C 1.0229(4) 1.1516(3) 0.3408(3) 0.0214(11) Uani 1 1 d . .
H14B H 1.0065 1.1855 0.3206 0.026 Uiso 1 1 calc R U
C15B C 1.0692(4) 1.1790(4) 0.4029(3) 0.0246(12) Uani 1 1 d . .
H15B H 1.0838 1.2313 0.4247 0.029 Uiso 1 1 calc R U
C16B C 1.0939(4) 1.1308(4) 0.4330(3) 0.0245(12) Uani 1 1 d . .
H16B H 1.1254 1.1496 0.4755 0.029 Uiso 1 1 calc R U
C17B C 1.0724(5) 1.0548(4) 0.4008(3) 0.0337(15) Uani 1 1 d . .
H17B H 1.0895 1.0213 0.4211 0.040 Uiso 1 1 calc R U
C18B C 1.0258(4) 1.0275(4) 0.3387(3) 0.0301(14) Uani 1 1 d . .
H18B H 1.0112 0.9751 0.3170 0.036 Uiso 1 1 calc R U
C19B C 1.0018(3) 0.8330(3) 0.2111(2) 0.0178(10) Uani 1 1 d . .
C20B C 1.0612(4) 0.9122(3) 0.2088(3) 0.0216(11) Uani 1 1 d . .
H20B H 1.0491 0.9549 0.2124 0.026 Uiso 1 1 calc R U
C21B C 1.1389(4) 0.9313(4) 0.2014(3) 0.0273(13) Uani 1 1 d . .
H21B H 1.1785 0.9860 0.1990 0.033 Uiso 1 1 calc R U
C22B C 1.1578(4) 0.8693(4) 0.1975(3) 0.0309(14) Uani 1 1 d . .
H22B H 1.2114 0.8820 0.1939 0.037 Uiso 1 1 calc R U
C23B C 1.0988(4) 0.7898(4) 0.1989(3) 0.0354(16) Uani 1 1 d . .
H23B H 1.1113 0.7474 0.1953 0.042 Uiso 1 1 calc R U
C24B C 1.0215(4) 0.7706(4) 0.2056(3) 0.0301(14) Uani 1 1 d . .
H24B H 0.9813 0.7152 0.2065 0.036 Uiso 1 1 calc R U
C25B C 0.9390(4) 0.8200(3) 0.3063(2) 0.0179(10) Uani 1 1 d . .
C26B C 1.0191(4) 0.8328(3) 0.3412(3) 0.0219(11) Uani 1 1 d . .
H26B H 1.0574 0.8346 0.3217 0.026 Uiso 1 1 calc R U
C27B C 1.0445(4) 0.8428(3) 0.4034(3) 0.0268(13) Uani 1 1 d . .
H27B H 1.0998 0.8524 0.4260 0.032 Uiso 1 1 calc R U
C28B C 0.9892(4) 0.8389(4) 0.4325(3) 0.0267(12) Uani 1 1 d . .
H28B H 1.0060 0.8455 0.4751 0.032 Uiso 1 1 calc R U
C29B C 0.9091(4) 0.8251(4) 0.3990(3) 0.0294(13) Uani 1 1 d . .
H29B H 0.8707 0.8221 0.4187 0.035 Uiso 1 1 calc R U
C30B C 0.8838(4) 0.8155(4) 0.3367(3) 0.0241(12) Uani 1 1 d . .
H30B H 0.8283 0.8057 0.3145 0.029 Uiso 1 1 calc R U
C31B C 0.8360(3) 0.6972(3) 0.1954(3) 0.0185(11) Uani 1 1 d . .
C32B C 0.8065(4) 0.6622(3) 0.1334(3) 0.0245(12) Uani 1 1 d . .
H32B H 0.8218 0.6987 0.1075 0.029 Uiso 1 1 calc R U
C33B C 0.7557(4) 0.5764(4) 0.1081(3) 0.0287(13) Uani 1 1 d . .
H33B H 0.7369 0.5545 0.0658 0.034 Uiso 1 1 calc R U
C34B C 0.7327(4) 0.5226(3) 0.1462(3) 0.0260(12) Uani 1 1 d . .
H34B H 0.6975 0.4636 0.1297 0.031 Uiso 1 1 calc R U
C35B C 0.7613(4) 0.5553(4) 0.2080(3) 0.0277(13) Uani 1 1 d . .
H35B H 0.7458 0.5186 0.2337 0.033 Uiso 1 1 calc R U
C36B C 0.8125(4) 0.6412(3) 0.2323(3) 0.0220(11) Uani 1 1 d . .
H36B H 0.8320 0.6628 0.2747 0.026 Uiso 1 1 calc R U
C37B C 0.7529(3) 0.8902(3) 0.3143(3) 0.0184(10) Uani 1 1 d . .
C38B C 0.8197(4) 0.9742(4) 0.3411(3) 0.0244(12) Uani 1 1 d . .
H38B H 0.8451 1.0090 0.3166 0.029 Uiso 1 1 calc R U
C39B C 0.8493(4) 1.0076(4) 0.4024(3) 0.0320(14) Uani 1 1 d . .
H39B H 0.8961 1.0644 0.4199 0.038 Uiso 1 1 calc R U
C40B C 0.8114(4) 0.9591(4) 0.4389(3) 0.0283(13) Uani 1 1 d . .
H40B H 0.8312 0.9825 0.4810 0.034 Uiso 1 1 calc R U
C41B C 0.7443(4) 0.8760(4) 0.4132(3) 0.0301(14) Uani 1 1 d . .
H41B H 0.7178 0.8421 0.4378 0.036 Uiso 1 1 calc R U
C42B C 0.7158(4) 0.8423(4) 0.3518(3) 0.0275(13) Uani 1 1 d . .
H42B H 0.6698 0.7851 0.3348 0.033 Uiso 1 1 calc R U
C43B C 0.6357(3) 0.7407(3) 0.2205(3) 0.0198(11) Uani 1 1 d . .
C44B C 0.6440(4) 0.6746(3) 0.2047(3) 0.0217(11) Uani 1 1 d . .
H44B H 0.6958 0.6858 0.1986 0.026 Uiso 1 1 calc R U
C45B C 0.5790(4) 0.5922(3) 0.1974(3) 0.0269(13) Uani 1 1 d . .
H45B H 0.5870 0.5482 0.1867 0.032 Uiso 1 1 calc R U
C46B C 0.5028(4) 0.5736(3) 0.2057(3) 0.0298(13) Uani 1 1 d . .
H46B H 0.4581 0.5171 0.2004 0.036 Uiso 1 1 calc R U
C47B C 0.4924(4) 0.6390(4) 0.2219(4) 0.0405(17) Uani 1 1 d . .
H47B H 0.4406 0.6272 0.2282 0.049 Uiso 1 1 calc R U
C48B C 0.5574(4) 0.7209(4) 0.2287(4) 0.0370(16) Uani 1 1 d . .
H48B H 0.5491 0.7648 0.2390 0.044 Uiso 1 1 calc R U
C49B C 0.6495(4) 0.8877(4) 0.2013(3) 0.0261(13) Uani 1 1 d . .
C50B C 0.5984(4) 0.8555(4) 0.1400(3) 0.0280(13) Uani 1 1 d . .
H50B H 0.6013 0.8151 0.1164 0.034 Uiso 1 1 calc R U
C51B C 0.5428(4) 0.8814(5) 0.1123(3) 0.0359(15) Uani 1 1 d . .
H51B H 0.5092 0.8597 0.0702 0.043 Uiso 1 1 calc R U
C52B C 0.5373(4) 0.9395(4) 0.1475(3) 0.0360(16) Uani 1 1 d . .
H52B H 0.5004 0.9581 0.1290 0.043 Uiso 1 1 calc R U
C53B C 0.5855(4) 0.9701(4) 0.2089(3) 0.0316(14) Uani 1 1 d . .
H53B H 0.5813 1.0092 0.2328 0.038 Uiso 1 1 calc R U
C54B C 0.6406(4) 0.9431(3) 0.2357(3) 0.0218(11) Uani 1 1 d . .
H54B H 0.6724 0.9630 0.2781 0.026 Uiso 1 1 calc R U
C55B C 0.8349(4) 0.8085(3) 0.0413(3) 0.0235(12) Uani 1 1 d . .
C56B C 0.9243(4) 0.8416(4) 0.0680(3) 0.0253(12) Uani 1 1 d . .
H56B H 0.9582 0.8848 0.1045 0.030 Uiso 1 1 calc R U
C57B C 0.9641(4) 0.8110(4) 0.0409(3) 0.0329(14) Uani 1 1 d . .
H57B H 1.0246 0.8324 0.0596 0.040 Uiso 1 1 calc R U
C58B C 0.9167(5) 0.7513(4) -0.0117(3) 0.0397(16) Uani 1 1 d . .
H58B H 0.9441 0.7312 -0.0301 0.048 Uiso 1 1 calc R U
C59B C 0.8287(5) 0.7192(4) -0.0391(3) 0.0393(16) Uani 1 1 d . .
H59B H 0.7961 0.6778 -0.0765 0.047 Uiso 1 1 calc R U
C60B C 0.7874(5) 0.7471(4) -0.0124(3) 0.0334(14) Uani 1 1 d . .
H60B H 0.7265 0.7240 -0.0310 0.040 Uiso 1 1 calc R U
C61B C 0.8028(4) 0.9380(3) 0.0433(3) 0.0219(11) Uani 1 1 d . .
C62B C 0.8336(4) 0.9488(4) -0.0042(3) 0.0286(13) Uani 1 1 d . .
H62B H 0.8424 0.9080 -0.0208 0.034 Uiso 1 1 calc R U
C63B C 0.8517(5) 1.0178(4) -0.0280(3) 0.0352(15) Uani 1 1 d . .
H63B H 0.8734 1.0246 -0.0601 0.042 Uiso 1 1 calc R U
C64B C 0.8379(4) 1.0772(4) -0.0044(3) 0.0335(14) Uani 1 1 d . .
H64B H 0.8516 1.1255 -0.0197 0.040 Uiso 1 1 calc R U
C65B C 0.8041(4) 1.0655(4) 0.0412(3) 0.0288(13) Uani 1 1 d . .
H65B H 0.7926 1.1049 0.0563 0.035 Uiso 1 1 calc R U
C66B C 0.7869(4) 0.9971(3) 0.0652(3) 0.0227(11) Uani 1 1 d . .
H66B H 0.7640 0.9902 0.0967 0.027 Uiso 1 1 calc R U
C67B C 0.6719(4) 0.7757(4) 0.0397(3) 0.0269(12) Uani 1 1 d . .
C68B C 0.6351(4) 0.6949(4) 0.0492(3) 0.0355(15) Uani 1 1 d . .
H68B H 0.6706 0.6819 0.0776 0.043 Uiso 1 1 calc R U
C69B C 0.5485(5) 0.6340(4) 0.0182(4) 0.0432(18) Uani 1 1 d . .
H69B H 0.5250 0.5792 0.0246 0.052 Uiso 1 1 calc R U
C70B C 0.4954(5) 0.6524(5) -0.0223(4) 0.0449(18) Uani 1 1 d . .
H70B H 0.4357 0.6102 -0.0438 0.054 Uiso 1 1 calc R U
C71B C 0.5285(5) 0.7303(5) -0.0312(3) 0.0403(16) Uani 1 1 d . .
H71B H 0.4914 0.7433 -0.0578 0.048 Uiso 1 1 calc R U
C72B C 0.6166(4) 0.7914(4) -0.0018(3) 0.0299(13) Uani 1 1 d . .
H72B H 0.6395 0.8450 -0.0102 0.036 Uiso 1 1 calc R U
P1B P 0.93762(9) 1.03060(8) 0.22466(6) 0.0157(3) Uani 1 1 d . .
P2B P 0.90145(9) 0.81226(8) 0.22376(6) 0.0162(3) Uani 1 1 d . .
P3B P 0.72312(9) 0.85128(8) 0.23221(7) 0.0166(3) Uani 1 1 d . .
P4B P 0.78943(10) 0.85363(9) 0.08162(7) 0.0206(3) Uani 1 1 d . .
Ru1B Ru 0.82511(3) 0.88068(3) 0.18457(2) 0.01983(11) Uani 1 1 d D .
H1RU H 0.766(3) 0.912(4) 0.144(2) 0.024 Uiso 1 1 d D U
H2RU H 0.747(3) 0.7819(15) 0.154(2) 0.024 Uiso 1 1 d D U
C1D C 0.1902(4) 0.4798(4) 0.1936(3) 0.0312(14) Uani 1 1 d . .
C2D C 0.2662(4) 0.5142(4) 0.2448(3) 0.0315(14) Uani 1 1 d . .
H2D H 0.3004 0.5730 0.2618 0.038 Uiso 1 1 calc R U
C3D C 0.2931(4) 0.4643(4) 0.2714(3) 0.0356(15) Uani 1 1 d . .
H3D H 0.3445 0.4886 0.3065 0.043 Uiso 1 1 calc R U
C4D C 0.2433(5) 0.3778(4) 0.2456(4) 0.0395(17) Uani 1 1 d . .
H4D H 0.2598 0.3426 0.2638 0.047 Uiso 1 1 calc R U
C5D C 0.1698(5) 0.3437(4) 0.1935(4) 0.0394(17) Uani 1 1 d . .
H5D H 0.1372 0.2852 0.1753 0.047 Uiso 1 1 calc R U
C6D C 0.1433(5) 0.3934(4) 0.1678(3) 0.0366(15) Uani 1 1 d . .
H6D H 0.0927 0.3688 0.1321 0.044 Uiso 1 1 calc R U
C7D C 0.0686(4) 0.5287(4) 0.1940(3) 0.0330(14) Uani 1 1 d . .
C8D C 0.0073(5) 0.5477(5) 0.1654(4) 0.0440(18) Uani 1 1 d . .
H8D H 0.0039 0.5604 0.1271 0.053 Uiso 1 1 calc R U
C9D C -0.0487(4) 0.5482(4) 0.1925(4) 0.0425(18) Uani 1 1 d . .
H9D H -0.0896 0.5620 0.1732 0.051 Uiso 1 1 calc R U
C10D C -0.0443(4) 0.5286(4) 0.2471(4) 0.0409(17) Uani 1 1 d . .
H10D H -0.0806 0.5317 0.2666 0.049 Uiso 1 1 calc R U
C11D C 0.0114(4) 0.5047(4) 0.2741(3) 0.0381(16) Uani 1 1 d . .
H11D H 0.0115 0.4888 0.3112 0.046 Uiso 1 1 calc R U
C12D C 0.0677(5) 0.5035(4) 0.2476(3) 0.0374(16) Uani 1 1 d . .
H12D H 0.1054 0.4856 0.2659 0.045 Uiso 1 1 calc R U
C13D C 0.2379(4) 0.6485(4) 0.1931(3) 0.0330(14) Uani 1 1 d . .
C14D C 0.2473(4) 0.7011(4) 0.2420(3) 0.0340(15) Uani 1 1 d . .
H14D H 0.2022 0.6818 0.2582 0.041 Uiso 1 1 calc R U
C15D C 0.3214(5) 0.7816(4) 0.2680(3) 0.0376(16) Uani 1 1 d . .
H15D H 0.3273 0.8164 0.3021 0.045 Uiso 1 1 calc R U
C16D C 0.3868(4) 0.8107(4) 0.2434(3) 0.0364(16) Uani 1 1 d . .
H16D H 0.4379 0.8653 0.2608 0.044 Uiso 1 1 calc R U
C17D C 0.3766(5) 0.7598(4) 0.1938(3) 0.0359(15) Uani 1 1 d . .
H17D H 0.4210 0.7797 0.1768 0.043 Uiso 1 1 calc R U
C18D C 0.3037(5) 0.6807(4) 0.1684(3) 0.0403(16) Uani 1 1 d . .
H18D H 0.2974 0.6471 0.1335 0.048 Uiso 1 1 calc R U
P1D P 0.14509(12) 0.53879(11) 0.15620(9) 0.0349(4) Uani 1 1 d . .
C1E C 0.1101(7) 0.6911(6) 0.0472(5) 0.078(3) Uani 1 1 d . .
H1E H 0.0816 0.6732 0.0753 0.094 Uiso 1 1 calc R U
C2E C 0.1966(7) 0.7553(5) 0.0673(5) 0.063(3) Uani 1 1 d . .
H2E H 0.2281 0.7809 0.1094 0.076 Uiso 1 1 calc R U
C3E C 0.2381(7) 0.7829(5) 0.0263(5) 0.065(3) Uani 1 1 d . .
H3E H 0.2979 0.8270 0.0399 0.078 Uiso 1 1 calc R U
C4E C 0.1907(7) 0.7447(6) -0.0346(5) 0.062(3) Uani 1 1 d . .
H4E H 0.2183 0.7641 -0.0630 0.075 Uiso 1 1 calc R U
C5E C 0.1037(6) 0.6786(6) -0.0558(4) 0.061(2) Uani 1 1 d . .
H5E H 0.0722 0.6523 -0.0978 0.073 Uiso 1 1 calc R U
C6E C 0.0649(7) 0.6526(7) -0.0141(5) 0.071(3) Uani 1 1 d . .
H6E H 0.0057 0.6073 -0.0275 0.086 Uiso 1 1 calc R U
C1F C 0.5797(5) 0.0700(5) 0.0374(4) 0.052(2) Uani 1 1 d . .
H1F H 0.6342 0.1181 0.0628 0.063 Uiso 1 1 calc R U
C2F C 0.5017(5) 0.0649(4) 0.0315(3) 0.0409(16) Uani 1 1 d . .
H2F H 0.5029 0.1096 0.0535 0.049 Uiso 1 1 calc R U
C3F C 0.4240(5) -0.0040(5) -0.0054(4) 0.0473(19) Uani 1 1 d . .
H3F H 0.3714 -0.0065 -0.0093 0.057 Uiso 1 1 calc R U
C1G C 0.2126(3) 0.4809(3) 0.0374(3) 0.060(2) Uani 1 1 d G .
H1G H 0.1702 0.4291 0.0419 0.072 Uiso 1 1 calc R U
C2G C 0.3009(4) 0.5149(4) 0.0687(2) 0.056(2) Uani 1 1 d G .
H2G H 0.3188 0.4863 0.0945 0.067 Uiso 1 1 calc R U
C3G C 0.3630(3) 0.5907(4) 0.0620(3) 0.071(3) Uani 1 1 d G .
H3G H 0.4233 0.6139 0.0834 0.085 Uiso 1 1 calc R U
C4G C 0.3367(5) 0.6325(3) 0.0242(3) 0.087(4) Uani 1 1 d G .
H4G H 0.3791 0.6843 0.0197 0.104 Uiso 1 1 calc R U
C5G C 0.2484(5) 0.5986(4) -0.0070(3) 0.081(3) Uani 1 1 d G .
H5G H 0.2305 0.6271 -0.0329 0.097 Uiso 1 1 calc R U
C6G C 0.1864(4) 0.5227(4) -0.0004(3) 0.067(3) Uani 1 1 d G .
H6G H 0.1260 0.4995 -0.0218 0.080 Uiso 1 1 calc R U
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'
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
C6A C1A C2A 119.1(5) . .
C6A C1A P1A 122.7(5) . .
C2A C1A P1A 118.2(4) . .
C1A C2A C3A 121.4(6) . .
C4A C3A C2A 119.3(6) . .
C3A C4A C5A 120.2(6) . .
C4A C5A C6A 120.2(6) . .
C1A C6A C5A 119.8(6) . .
C8A C7A C12A 118.2(5) . .
C8A C7A P1A 123.4(4) . .
C12A C7A P1A 118.3(4) . .
C7A C8A C9A 120.1(6) . .
C8A C9A C10A 120.4(5) . .
C11A C10A C9A 119.4(5) . .
C12A C11A C10A 120.1(5) . .
C11A C12A C7A 121.8(5) . .
C14A C13A C18A 117.8(5) . .
C14A C13A P1A 123.7(4) . .
C18A C13A P1A 118.4(4) . .
C15A C14A C13A 121.4(5) . .
C14A C15A C16A 119.7(5) . .
C17A C16A C15A 119.3(6) . .
C18A C17A C16A 120.5(6) . .
C17A C18A C13A 121.2(5) . .
C20A C19A C24A 118.3(5) . .
C20A C19A P2A 119.2(5) . .
C24A C19A P2A 122.5(4) . .
C19A C20A C21A 121.8(6) . .
C22A C21A C20A 119.5(7) . .
C23A C22A C21A 120.2(6) . .
C22A C23A C24A 120.2(7) . .
C23A C24A C19A 120.0(6) . .
C26A C25A C30A 117.2(6) . .
C26A C25A P2A 118.8(4) . .
C30A C25A P2A 123.9(4) . .
C27A C26A C25A 121.8(5) . .
C26A C27A C28A 120.4(6) . .
C27A C28A C29A 119.0(6) . .
C30A C29A C28A 120.2(6) . .
C29A C30A C25A 121.5(6) . .
C32A C31A C36A 117.9(5) . .
C32A C31A P2A 124.1(4) . .
C36A C31A P2A 117.9(4) . .
C31A C32A C33A 121.6(5) . .
C34A C33A C32A 118.9(6) . .
C35A C34A C33A 120.3(5) . .
C34A C35A C36A 120.2(5) . .
C35A C36A C31A 120.9(5) . .
C42A C37A C38A 118.7(5) . .
C42A C37A P4A 123.7(4) . .
C38A C37A P4A 117.5(4) . .
C39A C38A C37A 120.7(5) . .
C40A C39A C38A 120.2(5) . .
C39A C40A C41A 119.8(5) . .
C40A C41A C42A 120.6(6) . .
C37A C42A C41A 120.1(5) . .
C48A C43A C44A 119.3(5) . .
C48A C43A P4A 122.9(4) . .
C44A C43A P4A 117.8(4) . .
C45A C44A C43A 120.5(6) . .
C44A C45A C46A 120.1(6) . .
C47A C46A C45A 120.2(6) . .
C46A C47A C48A 120.3(6) . .
C43A C48A C47A 119.7(6) . .
C50A C49A C54A 117.8(5) . .
C50A C49A P4A 124.0(4) . .
C54A C49A P4A 118.2(4) . .
C51A C50A C49A 121.6(5) . .
C50A C51A C52A 119.8(5) . .
C53A C52A C51A 119.7(6) . .
C52A C53A C54A 120.4(6) . .
C53A C54A C49A 120.8(5) . .
C60A C55A C56A 117.9(5) . .
C60A C55A P3A 124.1(4) . .
C56A C55A P3A 118.0(4) . .
C57A C56A C55A 121.0(5) . .
C58A C57A C56A 120.1(5) . .
C59A C58A C57A 119.8(6) . .
C58A C59A C60A 120.0(5) . .
C55A C60A C59A 121.3(5) . .
C66A C61A C62A 118.4(5) . .
C66A C61A P3A 123.8(4) . .
C62A C61A P3A 117.7(4) . .
C63A C62A C61A 120.2(5) . .
C64A C63A C62A 120.7(5) . .
C63A C64A C65A 119.5(5) . .
C64A C65A C66A 119.9(5) . .
C61A C66A C65A 121.3(5) . .
C68A C67A C72A 117.0(5) . .
C68A C67A P3A 123.6(4) . .
C72A C67A P3A 119.3(4) . .
C69A C68A C67A 121.4(5) . .
C70A C69A C68A 119.9(6) . .
C69A C70A C71A 119.9(5) . .
C72A C71A C70A 119.4(5) . .
C71A C72A C67A 122.4(6) . .
C7A P1A C13A 97.9(2) . .
C7A P1A C1A 99.1(2) . .
C13A P1A C1A 98.2(2) . .
C7A P1A Ru1A 118.35(17) . .
C13A P1A Ru1A 121.31(16) . .
C1A P1A Ru1A 117.56(19) . .
C19A P2A C25A 99.3(3) . .
C19A P2A C31A 98.5(2) . .
C25A P2A C31A 98.7(2) . .
C19A P2A Ru1A 116.22(18) . .
C25A P2A Ru1A 122.69(17) . .
C31A P2A Ru1A 117.14(19) . .
C67A P3A C55A 98.5(2) . .
C67A P3A C61A 97.9(2) . .
C55A P3A C61A 97.9(2) . .
C67A P3A Ru1A 118.41(18) . .
C55A P3A Ru1A 121.02(18) . .
C61A P3A Ru1A 118.41(19) . .
C49A P4A C37A 98.0(2) . .
C49A P4A C43A 98.2(2) . .
C37A P4A C43A 98.6(2) . .
C49A P4A Ru1A 121.28(18) . .
C37A P4A Ru1A 119.12(17) . .
C43A P4A Ru1A 117.04(17) . .
P3A Ru1A P2A 114.77(5) . .
P3A Ru1A P4A 110.28(6) . .
P2A Ru1A P4A 107.56(5) . .
P3A Ru1A P1A 110.75(5) . .
P2A Ru1A P1A 106.85(5) . .
P4A Ru1A P1A 106.21(5) . .
C6B C1B C2B 118.3(5) . .
C6B C1B P1B 119.5(4) . .
C2B C1B P1B 122.1(4) . .
C3B C2B C1B 120.1(5) . .
C4B C3B C2B 121.3(5) . .
C3B C4B C5B 118.4(5) . .
C4B C5B C6B 121.0(5) . .
C1B C6B C5B 120.9(5) . .
C12B C7B C8B 117.8(5) . .
C12B C7B P1B 124.1(4) . .
C8B C7B P1B 118.1(4) . .
C9B C8B C7B 120.7(5) . .
C10B C9B C8B 121.1(6) . .
C11B C10B C9B 119.7(5) . .
C10B C11B C12B 120.1(6) . .
C7B C12B C11B 120.6(5) . .
C18B C13B C14B 118.0(5) . .
C18B C13B P1B 116.7(4) . .
C14B C13B P1B 125.3(4) . .
C15B C14B C13B 121.0(5) . .
C16B C15B C14B 120.4(5) . .
C15B C16B C17B 119.3(6) . .
C16B C17B C18B 120.1(5) . .
C13B C18B C17B 121.2(5) . .
C20B C19B C24B 118.0(5) . .
C20B C19B P2B 119.6(4) . .
C24B C19B P2B 122.3(4) . .
C19B C20B C21B 121.6(5) . .
C22B C21B C20B 119.4(5) . .
C23B C22B C21B 119.8(5) . .
C22B C23B C24B 120.9(5) . .
C23B C24B C19B 120.3(5) . .
C26B C25B C30B 117.0(5) . .
C26B C25B P2B 125.6(4) . .
C30B C25B P2B 117.4(4) . .
C27B C26B C25B 122.0(5) . .
C28B C27B C26B 119.9(5) . .
C29B C28B C27B 119.3(5) . .
C28B C29B C30B 120.9(5) . .
C29B C30B C25B 120.9(5) . .
C32B C31B C36B 117.1(5) . .
C32B C31B P2B 118.9(4) . .
C36B C31B P2B 124.0(4) . .
C33B C32B C31B 122.6(5) . .
C32B C33B C34B 118.7(6) . .
C35B C34B C33B 120.1(5) . .
C36B C35B C34B 120.3(5) . .
C35B C36B C31B 121.3(5) . .
C42B C37B C38B 117.3(5) . .
C42B C37B P3B 125.5(4) . .
C38B C37B P3B 117.2(4) . .
C39B C38B C37B 121.3(5) . .
C38B C39B C40B 120.5(6) . .
C39B C40B C41B 119.2(6) . .
C42B C41B C40B 120.1(5) . .
C41B C42B C37B 121.5(6) . .
C44B C43B C48B 117.0(5) . .
C44B C43B P3B 122.4(4) . .
C48B C43B P3B 120.6(4) . .
C43B C44B C45B 121.9(5) . .
C46B C45B C44B 120.5(5) . .
C45B C46B C47B 119.0(5) . .
C48B C47B C46B 120.0(6) . .
C47B C48B C43B 121.5(5) . .
C50B C49B C54B 118.4(5) . .
C50B C49B P3B 117.4(4) . .
C54B C49B P3B 124.2(5) . .
C49B C50B C51B 121.4(6) . .
C52B C51B C50B 119.2(6) . .
C53B C52B C51B 120.2(5) . .
C52B C53B C54B 119.6(6) . .
C49B C54B C53B 121.1(6) . .
C60B C55B C56B 119.0(5) . .
C60B C55B P4B 124.8(5) . .
C56B C55B P4B 116.2(4) . .
C55B C56B C57B 120.1(6) . .
C58B C57B C56B 120.0(6) . .
C57B C58B C59B 120.4(6) . .
C58B C59B C60B 120.5(6) . .
C55B C60B C59B 119.8(6) . .
C62B C61B C66B 118.2(5) . .
C62B C61B P4B 122.7(4) . .
C66B C61B P4B 119.0(4) . .
C63B C62B C61B 121.4(5) . .
C62B C63B C64B 119.5(6) . .
C65B C64B C63B 119.6(6) . .
C66B C65B C64B 120.8(5) . .
C65B C66B C61B 120.5(5) . .
C72B C67B C68B 116.9(6) . .
C72B C67B P4B 124.3(5) . .
C68B C67B P4B 118.8(5) . .
C69B C68B C67B 121.2(6) . .
C68B C69B C70B 120.1(6) . .
C71B C70B C69B 120.1(7) . .
C70B C71B C72B 120.4(7) . .
C71B C72B C67B 121.3(6) . .
C7B P1B C1B 97.9(2) . .
C7B P1B C13B 97.9(2) . .
C1B P1B C13B 98.0(2) . .
C7B P1B Ru1B 119.60(16) . .
C1B P1B Ru1B 118.52(18) . .
C13B P1B Ru1B 120.19(16) . .
C31B P2B C19B 98.1(2) . .
C31B P2B C25B 99.0(2) . .
C19B P2B C25B 98.1(2) . .
C31B P2B Ru1B 114.52(17) . .
C19B P2B Ru1B 123.15(17) . .
C25B P2B Ru1B 119.33(16) . .
C49B P3B C37B 99.7(2) . .
C49B P3B C43B 96.2(3) . .
C37B P3B C43B 99.8(2) . .
C49B P3B Ru1B 113.07(18) . .
C37B P3B Ru1B 124.17(17) . .
C43B P3B Ru1B 118.91(17) . .
C61B P4B C67B 99.2(3) . .
C61B P4B C55B 98.8(2) . .
C67B P4B C55B 98.8(3) . .
C61B P4B Ru1B 119.54(19) . .
C67B P4B Ru1B 112.8(2) . .
C55B P4B Ru1B 123.40(19) . .
P4B Ru1B P3B 123.84(6) . .
P4B Ru1B P2B 107.62(5) . .
P3B Ru1B P2B 106.91(5) . .
P4B Ru1B P1B 106.24(5) . .
P3B Ru1B P1B 106.67(5) . .
P2B Ru1B P1B 103.92(5) . .
C2D C1D C6D 117.9(6) . .
C2D C1D P1D 125.6(5) . .
C6D C1D P1D 116.5(5) . .
C3D C2D C1D 121.7(6) . .
C2D C3D C4D 119.0(7) . .
C5D C4D C3D 119.7(6) . .
C6D C5D C4D 120.9(6) . .
C5D C6D C1D 120.8(7) . .
C12D C7D C8D 119.0(6) . .
C12D C7D P1D 125.0(5) . .
C8D C7D P1D 116.0(5) . .
C9D C8D C7D 120.4(7) . .
C10D C9D C8D 119.4(6) . .
C9D C10D C11D 121.1(6) . .
C10D C11D C12D 120.2(7) . .
C11D C12D C7D 119.5(6) . .
C14D C13D C18D 117.6(6) . .
C14D C13D P1D 125.9(5) . .
C18D C13D P1D 116.5(5) . .
C13D C14D C15D 121.5(6) . .
C14D C15D C16D 119.2(6) . .
C17D C16D C15D 119.5(6) . .
C18D C17D C16D 121.0(6) . .
C17D C18D C13D 121.1(6) . .
C7D P1D C13D 101.8(3) . .
C7D P1D C1D 102.1(3) . .
C13D P1D C1D 101.2(3) . .
C2E C1E C6E 119.7(10) . .
C1E C2E C3E 120.4(10) . .
C4E C3E C2E 118.5(9) . .
C3E C4E C5E 122.1(9) . .
C6E C5E C4E 117.9(10) . .
C5E C6E C1E 121.4(10) . .
C3F C1F C2F 118.7(7) 2_655 .
C3F C2F C1F 120.2(7) . .
C2F C3F C1F 121.1(7) . 2_655
C2G C1G C6G 120.0 . .
C1G C2G C3G 120.0 . .
C2G C3G C4G 120.0 . .
C5G C4G C3G 120.0 . .
C6G C5G C4G 120.0 . .
C5G C6G C1G 120.0 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1A C6A 1.374(8) .
C1A C2A 1.373(8) .
C1A P1A 1.861(5) .
C2A C3A 1.392(8) .
C3A C4A 1.371(10) .
C4A C5A 1.369(10) .
C5A C6A 1.406(8) .
C7A C8A 1.395(7) .
C7A C12A 1.405(7) .
C7A P1A 1.841(5) .
C8A C9A 1.399(8) .
C9A C10A 1.404(9) .
C10A C11A 1.381(8) .
C11A C12A 1.380(8) .
C13A C14A 1.392(8) .
C13A C18A 1.392(7) .
C13A P1A 1.858(6) .
C14A C15A 1.386(8) .
C15A C16A 1.391(8) .
C16A C17A 1.385(9) .
C17A C18A 1.375(8) .
C19A C20A 1.377(8) .
C19A C24A 1.410(9) .
C19A P2A 1.851(5) .
C20A C21A 1.391(8) .
C21A C22A 1.385(11) .
C22A C23A 1.379(10) .
C23A C24A 1.399(8) .
C25A C26A 1.396(8) .
C25A C30A 1.397(7) .
C25A P2A 1.852(6) .
C26A C27A 1.382(9) .
C27A C28A 1.382(9) .
C28A C29A 1.398(9) .
C29A C30A 1.384(9) .
C31A C32A 1.379(7) .
C31A C36A 1.403(7) .
C31A P2A 1.853(5) .
C32A C33A 1.398(7) .
C33A C34A 1.389(9) .
C34A C35A 1.374(9) .
C35A C36A 1.380(7) .
C37A C42A 1.390(8) .
C37A C38A 1.400(7) .
C37A P4A 1.858(5) .
C38A C39A 1.385(8) .
C39A C40A 1.377(9) .
C40A C41A 1.382(8) .
C41A C42A 1.393(8) .
C43A C48A 1.389(7) .
C43A C44A 1.391(8) .
C43A P4A 1.860(5) .
C44A C45A 1.385(8) .
C45A C46A 1.386(9) .
C46A C47A 1.365(10) .
C47A C48A 1.409(8) .
C49A C50A 1.393(7) .
C49A C54A 1.400(8) .
C49A P4A 1.851(6) .
C50A C51A 1.385(8) .
C51A C52A 1.392(9) .
C52A C53A 1.378(8) .
C53A C54A 1.392(9) .
C55A C60A 1.394(7) .
C55A C56A 1.406(7) .
C55A P3A 1.859(6) .
C56A C57A 1.396(8) .
C57A C58A 1.390(8) .
C58A C59A 1.388(8) .
C59A C60A 1.400(8) .
C61A C66A 1.383(8) .
C61A C62A 1.405(7) .
C61A P3A 1.863(5) .
C62A C63A 1.390(7) .
C63A C64A 1.380(8) .
C64A C65A 1.388(8) .
C65A C66A 1.393(8) .
C67A C68A 1.400(8) .
C67A C72A 1.401(7) .
C67A P3A 1.853(5) .
C68A C69A 1.394(8) .
C69A C70A 1.382(8) .
C70A C71A 1.398(9) .
C71A C72A 1.374(7) .
P1A Ru1A 2.3806(14) .
P2A Ru1A 2.3618(16) .
P3A Ru1A 2.3494(16) .
P4A Ru1A 2.3765(15) .
C1B C6B 1.387(7) .
C1B C2B 1.401(7) .
C1B P1B 1.858(5) .
C2B C3B 1.397(7) .
C3B C4B 1.379(9) .
C4B C5B 1.389(8) .
C5B C6B 1.390(7) .
C7B C12B 1.398(8) .
C7B C8B 1.401(8) .
C7B P1B 1.855(5) .
C8B C9B 1.377(8) .
C9B C10B 1.375(9) .
C10B C11B 1.373(9) .
C11B C12B 1.405(8) .
C13B C18B 1.387(7) .
C13B C14B 1.393(7) .
C13B P1B 1.866(6) .
C14B C15B 1.389(8) .
C15B C16B 1.380(8) .
C16B C17B 1.386(8) .
C17B C18B 1.391(8) .
C19B C20B 1.378(7) .
C19B C24B 1.416(7) .
C19B P2B 1.856(5) .
C20B C21B 1.395(8) .
C21B C22B 1.395(8) .
C22B C23B 1.372(9) .
C23B C24B 1.381(8) .
C25B C26B 1.398(7) .
C25B C30B 1.399(7) .
C25B P2B 1.858(5) .
C26B C27B 1.387(8) .
C27B C28B 1.382(8) .
C28B C29B 1.381(8) .
C29B C30B 1.388(8) .
C31B C32B 1.399(8) .
C31B C36B 1.406(7) .
C31B P2B 1.844(5) .
C32B C33B 1.387(8) .
C33B C34B 1.399(8) .
C34B C35B 1.388(9) .
C35B C36B 1.385(8) .
C37B C42B 1.396(7) .
C37B C38B 1.397(7) .
C37B P3B 1.851(6) .
C38B C39B 1.378(8) .
C39B C40B 1.383(8) .
C40B C41B 1.385(9) .
C41B C42B 1.381(9) .
C43B C44B 1.380(7) .
C43B C48B 1.412(8) .
C43B P3B 1.853(5) .
C44B C45B 1.386(7) .
C45B C46B 1.381(8) .
C46B C47B 1.393(8) .
C47B C48B 1.383(8) .
C49B C50B 1.389(9) .
C49B C54B 1.390(7) .
C49B P3B 1.850(6) .
C50B C51B 1.399(8) .
C51B C52B 1.398(9) .
C52B C53B 1.383(10) .
C53B C54B 1.402(8) .
C55B C60B 1.379(8) .
C55B C56B 1.397(8) .
C55B P4B 1.861(5) .
C56B C57B 1.403(8) .
C57B C58B 1.346(10) .
C58B C59B 1.381(10) .
C59B C60B 1.391(9) .
C61B C62B 1.391(8) .
C61B C66B 1.401(7) .
C61B P4B 1.842(5) .
C62B C63B 1.386(8) .
C63B C64B 1.391(9) .
C64B C65B 1.383(9) .
C65B C66B 1.379(8) .
C67B C72B 1.392(8) .
C67B C68B 1.404(8) .
C67B P4B 1.849(6) .
C68B C69B 1.375(9) .
C69B C70B 1.384(11) .
C70B C71B 1.350(10) .
C71B C72B 1.389(9) .
P1B Ru1B 2.4516(14) .
P2B Ru1B 2.4364(13) .
P3B Ru1B 2.3560(14) .
P4B Ru1B 2.2918(16) .
C1D C2D 1.400(10) .
C1D C6D 1.401(9) .
C1D P1D 1.856(7) .
C2D C3D 1.395(9) .
C3D C4D 1.399(9) .
C4D C5D 1.387(11) .
C5D C6D 1.377(10) .
C7D C12D 1.392(9) .
C7D C8D 1.398(9) .
C7D P1D 1.848(6) .
C8D C9D 1.386(10) .
C9D C10D 1.366(11) .
C10D C11D 1.369(10) .
C11D C12D 1.389(9) .
C13D C14D 1.386(9) .
C13D C18D 1.403(9) .
C13D P1D 1.855(7) .
C14D C15D 1.393(9) .
C15D C16D 1.396(9) .
C16D C17D 1.374(9) .
C17D C18D 1.369(10) .
C1E C2E 1.377(14) .
C1E C6E 1.387(14) .
C2E C3E 1.388(13) .
C3E C4E 1.381(13) .
C4E C5E 1.392(13) .
C5E C6E 1.369(13) .
C1F C3F 1.379(10) 2_655
C1F C2F 1.396(10) .
C2F C3F 1.361(10) .
C3F C1F 1.379(10) 2_655
C1G C2G 1.3900 .
C1G C6G 1.3900 .
C2G C3G 1.3900 .
C3G C4G 1.3900 .
C4G C5G 1.3900 .
C5G C6G 1.3900 .
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_4
C6A C1A C2A C3A -0.6(8) . .
P1A C1A C2A C3A -179.7(5) . .
C1A C2A C3A C4A -0.4(9) . .
C2A C3A C4A C5A 0.0(9) . .
C3A C4A C5A C6A 1.4(9) . .
C2A C1A C6A C5A 1.9(8) . .
P1A C1A C6A C5A -179.0(4) . .
C4A C5A C6A C1A -2.3(9) . .
C12A C7A C8A C9A -0.1(9) . .
P1A C7A C8A C9A 177.6(5) . .
C7A C8A C9A C10A -1.5(11) . .
C8A C9A C10A C11A 2.1(11) . .
C9A C10A C11A C12A -1.1(10) . .
C10A C11A C12A C7A -0.5(10) . .
C8A C7A C12A C11A 1.1(9) . .
P1A C7A C12A C11A -176.8(5) . .
C18A C13A C14A C15A -0.6(8) . .
P1A C13A C14A C15A 177.0(4) . .
C13A C14A C15A C16A 0.8(8) . .
C14A C15A C16A C17A -1.0(8) . .
C15A C16A C17A C18A 1.1(9) . .
C16A C17A C18A C13A -1.0(9) . .
C14A C13A C18A C17A 0.8(8) . .
P1A C13A C18A C17A -177.0(4) . .
C24A C19A C20A C21A 0.2(8) . .
P2A C19A C20A C21A 178.9(5) . .
C19A C20A C21A C22A 0.3(10) . .
C20A C21A C22A C23A -1.0(10) . .
C21A C22A C23A C24A 1.3(10) . .
C22A C23A C24A C19A -0.9(9) . .
C20A C19A C24A C23A 0.1(8) . .
P2A C19A C24A C23A -178.5(4) . .
C30A C25A C26A C27A -1.1(8) . .
P2A C25A C26A C27A 179.6(5) . .
C25A C26A C27A C28A 0.3(10) . .
C26A C27A C28A C29A 0.6(10) . .
C27A C28A C29A C30A -0.6(9) . .
C28A C29A C30A C25A -0.2(9) . .
C26A C25A C30A C29A 1.0(8) . .
P2A C25A C30A C29A -179.7(4) . .
C36A C31A C32A C33A 0.0(10) . .
P2A C31A C32A C33A 177.2(5) . .
C31A C32A C33A C34A -0.7(11) . .
C32A C33A C34A C35A 1.3(11) . .
C33A C34A C35A C36A -1.1(10) . .
C34A C35A C36A C31A 0.3(9) . .
C32A C31A C36A C35A 0.2(9) . .
P2A C31A C36A C35A -177.2(5) . .
C42A C37A C38A C39A 0.6(8) . .
P4A C37A C38A C39A -176.5(4) . .
C37A C38A C39A C40A -0.3(9) . .
C38A C39A C40A C41A -0.9(9) . .
C39A C40A C41A C42A 1.6(10) . .
C38A C37A C42A C41A 0.2(9) . .
P4A C37A C42A C41A 177.1(5) . .
C40A C41A C42A C37A -1.3(9) . .
C48A C43A C44A C45A 0.1(8) . .
P4A C43A C44A C45A -178.0(5) . .
C43A C44A C45A C46A -0.8(9) . .
C44A C45A C46A C47A 0.5(10) . .
C45A C46A C47A C48A 0.5(10) . .
C44A C43A C48A C47A 1.0(8) . .
P4A C43A C48A C47A 178.9(5) . .
C46A C47A C48A C43A -1.3(10) . .
C54A C49A C50A C51A 1.4(8) . .
P4A C49A C50A C51A 179.1(4) . .
C49A C50A C51A C52A -0.4(8) . .
C50A C51A C52A C53A -1.1(9) . .
C51A C52A C53A C54A 1.7(9) . .
C52A C53A C54A C49A -0.6(9) . .
C50A C49A C54A C53A -0.9(8) . .
P4A C49A C54A C53A -178.7(5) . .
C60A C55A C56A C57A 0.3(8) . .
P3A C55A C56A C57A -178.6(4) . .
C55A C56A C57A C58A -0.5(8) . .
C56A C57A C58A C59A 0.0(8) . .
C57A C58A C59A C60A 0.6(8) . .
C56A C55A C60A C59A 0.3(8) . .
P3A C55A C60A C59A 179.2(4) . .
C58A C59A C60A C55A -0.8(8) . .
C66A C61A C62A C63A -0.4(8) . .
P3A C61A C62A C63A -177.4(4) . .
C61A C62A C63A C64A 0.7(9) . .
C62A C63A C64A C65A -1.4(9) . .
C63A C64A C65A C66A 1.8(9) . .
C62A C61A C66A C65A 0.8(9) . .
P3A C61A C66A C65A 177.7(5) . .
C64A C65A C66A C61A -1.5(9) . .
C72A C67A C68A C69A -1.0(8) . .
P3A C67A C68A C69A 177.3(4) . .
C67A C68A C69A C70A 0.3(8) . .
C68A C69A C70A C71A 0.3(8) . .
C69A C70A C71A C72A -0.2(8) . .
C70A C71A C72A C67A -0.5(8) . .
C68A C67A C72A C71A 1.1(8) . .
P3A C67A C72A C71A -177.3(4) . .
C8A C7A P1A C13A -93.3(5) . .
C12A C7A P1A C13A 84.4(5) . .
C8A C7A P1A C1A 6.3(6) . .
C12A C7A P1A C1A -175.9(5) . .
C8A C7A P1A Ru1A 134.5(5) . .
C12A C7A P1A Ru1A -47.7(5) . .
C14A C13A P1A C7A 3.7(5) . .
C18A C13A P1A C7A -178.7(4) . .
C14A C13A P1A C1A -96.8(5) . .
C18A C13A P1A C1A 80.9(4) . .
C14A C13A P1A Ru1A 133.9(4) . .
C18A C13A P1A Ru1A -48.5(5) . .
C6A C1A P1A C7A -92.3(5) . .
C2A C1A P1A C7A 86.7(5) . .
C6A C1A P1A C13A 7.1(5) . .
C2A C1A P1A C13A -173.8(4) . .
C6A C1A P1A Ru1A 139.0(4) . .
C2A C1A P1A Ru1A -42.0(5) . .
C20A C19A P2A C25A -175.7(4) . .
C24A C19A P2A C25A 3.0(5) . .
C20A C19A P2A C31A 84.0(5) . .
C24A C19A P2A C31A -97.4(5) . .
C20A C19A P2A Ru1A -41.9(5) . .
C24A C19A P2A Ru1A 136.7(4) . .
C26A C25A P2A C19A 85.1(5) . .
C30A C25A P2A C19A -94.1(5) . .
C26A C25A P2A C31A -174.8(4) . .
C30A C25A P2A C31A 6.0(5) . .
C26A C25A P2A Ru1A -44.5(5) . .
C30A C25A P2A Ru1A 136.3(4) . .
C32A C31A P2A C19A 8.5(6) . .
C36A C31A P2A C19A -174.3(5) . .
C32A C31A P2A C25A -92.4(6) . .
C36A C31A P2A C25A 84.8(5) . .
C32A C31A P2A Ru1A 133.8(5) . .
C36A C31A P2A Ru1A -49.0(5) . .
C68A C67A P3A C55A 5.3(5) . .
C72A C67A P3A C55A -176.4(4) . .
C68A C67A P3A C61A -94.0(5) . .
C72A C67A P3A C61A 84.2(4) . .
C68A C67A P3A Ru1A 137.6(4) . .
C72A C67A P3A Ru1A -44.2(5) . .
C60A C55A P3A C67A -93.4(5) . .
C56A C55A P3A C67A 85.5(4) . .
C60A C55A P3A C61A 5.9(5) . .
C56A C55A P3A C61A -175.2(4) . .
C60A C55A P3A Ru1A 136.0(4) . .
C56A C55A P3A Ru1A -45.1(5) . .
C66A C61A P3A C67A 8.5(5) . .
C62A C61A P3A C67A -174.6(5) . .
C66A C61A P3A C55A -91.3(5) . .
C62A C61A P3A C55A 85.7(5) . .
C66A C61A P3A Ru1A 136.9(4) . .
C62A C61A P3A Ru1A -46.2(5) . .
C50A C49A P4A C37A 5.6(5) . .
C54A C49A P4A C37A -176.7(4) . .
C50A C49A P4A C43A -94.4(5) . .
C54A C49A P4A C43A 83.3(4) . .
C50A C49A P4A Ru1A 136.9(4) . .
C54A C49A P4A Ru1A -45.4(5) . .
C42A C37A P4A C49A -94.9(5) . .
C38A C37A P4A C49A 82.0(5) . .
C42A C37A P4A C43A 4.7(5) . .
C38A C37A P4A C43A -178.4(4) . .
C42A C37A P4A Ru1A 132.4(4) . .
C38A C37A P4A Ru1A -50.7(5) . .
C48A C43A P4A C49A 7.0(5) . .
C44A C43A P4A C49A -175.0(4) . .
C48A C43A P4A C37A -92.5(5) . .
C44A C43A P4A C37A 85.5(4) . .
C48A C43A P4A Ru1A 138.4(4) . .
C44A C43A P4A Ru1A -43.5(5) . .
C6B C1B C2B C3B 1.1(9) . .
P1B C1B C2B C3B -175.2(5) . .
C1B C2B C3B C4B -1.2(10) . .
C2B C3B C4B C5B 0.4(10) . .
C3B C4B C5B C6B 0.6(9) . .
C2B C1B C6B C5B -0.1(8) . .
P1B C1B C6B C5B 176.2(4) . .
C4B C5B C6B C1B -0.7(9) . .
C12B C7B C8B C9B 1.0(7) . .
P1B C7B C8B C9B -178.4(4) . .
C7B C8B C9B C10B 0.0(8) . .
C8B C9B C10B C11B -0.7(9) . .
C9B C10B C11B C12B 0.4(8) . .
C8B C7B C12B C11B -1.3(7) . .
P1B C7B C12B C11B 178.1(4) . .
C10B C11B C12B C7B 0.6(8) . .
C18B C13B C14B C15B -0.3(8) . .
P1B C13B C14B C15B 179.3(4) . .
C13B C14B C15B C16B 0.2(8) . .
C14B C15B C16B C17B 0.2(9) . .
C15B C16B C17B C18B -0.4(10) . .
C14B C13B C18B C17B 0.1(9) . .
P1B C13B C18B C17B -179.6(5) . .
C16B C17B C18B C13B 0.2(10) . .
C24B C19B C20B C21B -0.1(9) . .
P2B C19B C20B C21B 177.8(5) . .
C19B C20B C21B C22B -1.4(9) . .
C20B C21B C22B C23B 2.2(10) . .
C21B C22B C23B C24B -1.5(11) . .
C22B C23B C24B C19B 0.0(11) . .
C20B C19B C24B C23B 0.8(9) . .
P2B C19B C24B C23B -177.1(5) . .
C30B C25B C26B C27B -1.7(8) . .
P2B C25B C26B C27B 176.1(4) . .
C25B C26B C27B C28B 1.2(8) . .
C26B C27B C28B C29B -0.2(8) . .
C27B C28B C29B C30B -0.2(9) . .
C28B C29B C30B C25B -0.4(9) . .
C26B C25B C30B C29B 1.3(8) . .
P2B C25B C30B C29B -176.7(4) . .
C36B C31B C32B C33B 0.4(8) . .
P2B C31B C32B C33B -178.9(4) . .
C31B C32B C33B C34B 0.3(9) . .
C32B C33B C34B C35B -0.6(9) . .
C33B C34B C35B C36B 0.2(9) . .
C34B C35B C36B C31B 0.5(9) . .
C32B C31B C36B C35B -0.8(8) . .
P2B C31B C36B C35B 178.4(4) . .
C42B C37B C38B C39B 1.9(8) . .
P3B C37B C38B C39B -176.7(5) . .
C37B C38B C39B C40B -2.2(9) . .
C38B C39B C40B C41B 1.1(9) . .
C39B C40B C41B C42B 0.0(9) . .
C40B C41B C42B C37B -0.2(9) . .
C38B C37B C42B C41B -0.8(8) . .
P3B C37B C42B C41B 177.7(4) . .
C48B C43B C44B C45B -0.4(9) . .
P3B C43B C44B C45B 178.5(5) . .
C43B C44B C45B C46B 0.2(10) . .
C44B C45B C46B C47B -0.4(10) . .
C45B C46B C47B C48B 0.8(11) . .
C46B C47B C48B C43B -1.1(12) . .
C44B C43B C48B C47B 0.8(10) . .
P3B C43B C48B C47B -178.1(6) . .
C54B C49B C50B C51B 3.6(9) . .
P3B C49B C50B C51B -178.1(5) . .
C49B C50B C51B C52B -1.3(9) . .
C50B C51B C52B C53B -0.9(10) . .
C51B C52B C53B C54B 0.7(9) . .
C50B C49B C54B C53B -3.9(8) . .
P3B C49B C54B C53B 178.0(4) . .
C52B C53B C54B C49B 1.7(9) . .
C60B C55B C56B C57B -1.4(8) . .
P4B C55B C56B C57B 179.7(4) . .
C55B C56B C57B C58B 1.8(9) . .
C56B C57B C58B C59B -0.6(10) . .
C57B C58B C59B C60B -1.0(11) . .
C56B C55B C60B C59B -0.1(9) . .
P4B C55B C60B C59B 178.7(5) . .
C58B C59B C60B C55B 1.3(10) . .
C66B C61B C62B C63B 2.7(9) . .
P4B C61B C62B C63B -173.1(5) . .
C61B C62B C63B C64B -0.8(10) . .
C62B C63B C64B C65B -1.7(10) . .
C63B C64B C65B C66B 2.3(10) . .
C64B C65B C66B C61B -0.4(9) . .
C62B C61B C66B C65B -2.1(9) . .
P4B C61B C66B C65B 173.9(5) . .
C72B C67B C68B C69B 0.8(10) . .
P4B C67B C68B C69B -178.6(6) . .
C67B C68B C69B C70B -1.5(11) . .
C68B C69B C70B C71B -0.3(12) . .
C69B C70B C71B C72B 2.6(11) . .
C70B C71B C72B C67B -3.2(10) . .
C68B C67B C72B C71B 1.5(9) . .
P4B C67B C72B C71B -179.1(5) . .
C12B C7B P1B C1B 110.9(4) . .
C8B C7B P1B C1B -69.8(4) . .
C12B C7B P1B C13B 11.6(5) . .
C8B C7B P1B C13B -169.0(4) . .
C12B C7B P1B Ru1B -119.9(4) . .
C8B C7B P1B Ru1B 59.5(4) . .
C6B C1B P1B C7B 160.5(5) . .
C2B C1B P1B C7B -23.3(5) . .
C6B C1B P1B C13B -100.4(5) . .
C2B C1B P1B C13B 75.8(5) . .
C6B C1B P1B Ru1B 30.5(5) . .
C2B C1B P1B Ru1B -153.3(4) . .
C18B C13B P1B C7B -90.6(5) . .
C14B C13B P1B C7B 89.8(5) . .
C18B C13B P1B C1B 170.3(5) . .
C14B C13B P1B C1B -9.4(5) . .
C18B C13B P1B Ru1B 40.5(5) . .
C14B C13B P1B Ru1B -139.1(4) . .
C32B C31B P2B C19B -69.5(4) . .
C36B C31B P2B C19B 111.3(5) . .
C32B C31B P2B C25B -169.0(4) . .
C36B C31B P2B C25B 11.8(5) . .
C32B C31B P2B Ru1B 62.8(4) . .
C36B C31B P2B Ru1B -116.4(4) . .
C20B C19B P2B C31B 160.9(5) . .
C24B C19B P2B C31B -21.3(5) . .
C20B C19B P2B C25B -98.7(5) . .
C24B C19B P2B C25B 79.1(5) . .
C20B C19B P2B Ru1B 34.4(5) . .
C24B C19B P2B Ru1B -147.7(4) . .
C26B C25B P2B C31B 96.2(5) . .
C30B C25B P2B C31B -86.0(4) . .
C26B C25B P2B C19B -3.4(5) . .
C30B C25B P2B C19B 174.4(4) . .
C26B C25B P2B Ru1B -138.9(4) . .
C30B C25B P2B Ru1B 38.9(5) . .
C50B C49B P3B C37B -166.9(5) . .
C54B C49B P3B C37B 11.2(5) . .
C50B C49B P3B C43B -65.8(5) . .
C54B C49B P3B C43B 112.3(5) . .
C50B C49B P3B Ru1B 59.3(5) . .
C54B C49B P3B Ru1B -122.6(4) . .
C42B C37B P3B C49B 99.2(5) . .
C38B C37B P3B C49B -82.3(5) . .
C42B C37B P3B C43B 1.1(5) . .
C38B C37B P3B C43B 179.6(4) . .
C42B C37B P3B Ru1B -134.2(4) . .
C38B C37B P3B Ru1B 44.3(5) . .
C44B C43B P3B C49B 144.7(5) . .
C48B C43B P3B C49B -36.4(6) . .
C44B C43B P3B C37B -114.3(5) . .
C48B C43B P3B C37B 64.6(6) . .
C44B C43B P3B Ru1B 24.0(6) . .
C48B C43B P3B Ru1B -157.1(5) . .
C62B C61B P4B C67B -96.4(5) . .
C66B C61B P4B C67B 87.8(5) . .
C62B C61B P4B C55B 4.0(6) . .
C66B C61B P4B C55B -171.8(5) . .
C62B C61B P4B Ru1B 140.7(5) . .
C66B C61B P4B Ru1B -35.1(5) . .
C72B C67B P4B C61B -7.5(6) . .
C68B C67B P4B C61B 171.9(5) . .
C72B C67B P4B C55B -107.9(5) . .
C68B C67B P4B C55B 71.5(5) . .
C72B C67B P4B Ru1B 120.1(5) . .
C68B C67B P4B Ru1B -60.5(5) . .
C60B C55B P4B C61B -87.7(5) . .
C56B C55B P4B C61B 91.1(4) . .
C60B C55B P4B C67B 13.1(6) . .
C56B C55B P4B C67B -168.1(4) . .
C60B C55B P4B Ru1B 137.9(5) . .
C56B C55B P4B Ru1B -43.3(5) . .
C6D C1D C2D C3D -2.9(9) . .
P1D C1D C2D C3D 177.1(5) . .
C1D C2D C3D C4D 0.9(9) . .
C2D C3D C4D C5D 1.7(9) . .
C3D C4D C5D C6D -2.2(10) . .
C4D C5D C6D C1D 0.1(10) . .
C2D C1D C6D C5D 2.4(9) . .
P1D C1D C6D C5D -177.6(5) . .
C12D C7D C8D C9D 5.3(11) . .
P1D C7D C8D C9D -175.1(6) . .
C7D C8D C9D C10D -1.0(11) . .
C8D C9D C10D C11D -3.1(11) . .
C9D C10D C11D C12D 2.9(11) . .
C10D C11D C12D C7D 1.5(11) . .
C8D C7D C12D C11D -5.5(10) . .
P1D C7D C12D C11D 175.0(5) . .
C18D C13D C14D C15D -3.3(10) . .
P1D C13D C14D C15D 177.4(5) . .
C13D C14D C15D C16D 1.4(10) . .
C14D C15D C16D C17D 0.5(10) . .
C15D C16D C17D C18D -0.5(10) . .
C16D C17D C18D C13D -1.5(10) . .
C14D C13D C18D C17D 3.4(10) . .
P1D C13D C18D C17D -177.3(5) . .
C12D C7D P1D C13D -88.7(6) . .
C8D C7D P1D C13D 91.8(6) . .
C12D C7D P1D C1D 15.6(7) . .
C8D C7D P1D C1D -163.9(6) . .
C14D C13D P1D C7D 7.8(7) . .
C18D C13D P1D C7D -171.5(5) . .
C14D C13D P1D C1D -97.3(6) . .
C18D C13D P1D C1D 83.4(6) . .
C2D C1D P1D C7D -92.5(6) . .
C6D C1D P1D C7D 87.5(5) . .
C2D C1D P1D C13D 12.3(6) . .
C6D C1D P1D C13D -167.7(5) . .
C6E C1E C2E C3E 1.3(15) . .
C1E C2E C3E C4E 0.2(13) . .
C2E C3E C4E C5E -1.5(12) . .
C3E C4E C5E C6E 1.1(13) . .
C4E C5E C6E C1E 0.5(14) . .
C2E C1E C6E C5E -1.7(16) . .
C3F C1F C2F C3F -0.5(14) 2_655 .
C1F C2F C3F C1F 0.5(14) . 2_655
C6G C1G C2G C3G 0.0 . .
C1G C2G C3G C4G 0.0 . .
C2G C3G C4G C5G 0.0 . .
C3G C4G C5G C6G 0.0 . .
C4G C5G C6G C1G 0.0 . .
C2G C1G C6G C5G 0.0 . .
