#------------------------------------------------------------------------------
#$Date: 2016-03-23 00:26:11 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179110 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/72/4307259.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_4307259
loop_
_publ_author_name
'Ramalingam Venkateswaran'
'Joel T. Mague'
'Maravanji S. Balakrishna'
_publ_section_title
;
Ruthenium(II) Complexes Containing Bis(2-(diphenylphosphino)phenyl) Ether
and Their Catalytic Activity in Hydrogenation Reactions
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              809
_journal_page_last               817
_journal_paper_doi               10.1021/ic061782l
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         'C47 H38 Cl4 N2 O P2 Ru'
_chemical_formula_sum            'C47 H38 Cl4 N2 O P2 Ru'
_chemical_formula_weight         951.60
_chemical_name_systematic
; 
 cis-Dichloro[bis(2-diphenylphosphinophenyl)ether-
\kP:\kP'](2,2'-bipyridyl-\kN:\kN')ruthenium(II)
 Dichloromethane solvate
;
_space_group_IT_number           29
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'P 2c -2ac'
_symmetry_space_group_name_H-M   'P c a 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   26.076(3)
_cell_length_b                   9.732(1)
_cell_length_c                   33.932(4)
_cell_measurement_reflns_used    9480
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      25.64
_cell_measurement_theta_min      2.31
_cell_volume                     8611.0(17)
_computing_cell_refinement       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_collection       'Bruker SMART (Bruker-AXS, 2000)'
_computing_data_reduction        'Bruker SAINT+ (Bruker-AXS, 2004)'
_computing_molecular_graphics    'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_publication_material  'Bruker SHELXTL (Bruker-AXS, 2000a)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker-AXS Smart APEX CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1485
_diffrn_reflns_av_sigmaI/netI    0.1370
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -40
_diffrn_reflns_number            59946
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         1.56
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_T_max  0.9612
_exptl_absorpt_correction_T_min  0.8555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2002)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.468
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Column
_exptl_crystal_F_000             3872
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.05
_refine_diff_density_max         4.480
_refine_diff_density_min         -1.361
_refine_diff_density_rms         0.229
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.093
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     884
_refine_ls_number_reflns         15161
_refine_ls_number_restraints     685
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.1520
_refine_ls_R_factor_gt           0.1050
_refine_ls_shift/su_max          0.011
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1326P)²+66.2515P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2511
_refine_ls_wR_factor_ref         0.2797
_reflns_number_gt                10248
_reflns_number_total             15161
_reflns_threshold_expression     >2σ(I)
_cod_data_source_file            ic061782lsi20060920_072831.cif
_cod_data_source_block           msb270
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        8611.0(16)
_cod_database_code               4307259
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'x+1/2, -y, z'
'-x+1/2, y, z+1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.41881(5) 0.09576(13) 0.21640(3) 0.0182(3) Uani 1 1 d U . .
Cl1 Cl 0.40149(15) -0.1456(4) 0.21557(12) 0.0210(8) Uani 1 1 d U . .
Cl2 Cl 0.33194(14) 0.1344(4) 0.24170(11) 0.0199(8) Uani 1 1 d U . .
P1 P 0.50222(16) 0.0460(4) 0.19972(12) 0.0187(8) Uani 1 1 d U . .
P2 P 0.38316(16) 0.1339(4) 0.15433(11) 0.0170(8) Uani 1 1 d U . .
O1 O 0.4815(4) 0.2303(11) 0.1310(3) 0.021(2) Uani 1 1 d U . .
N2 N 0.4374(5) 0.2967(12) 0.2315(3) 0.016(3) Uani 1 1 d U . .
N1 N 0.4335(5) 0.0783(13) 0.2777(4) 0.019(3) Uani 1 1 d U . .
C1 C 0.5358(5) -0.0022(10) 0.2463(3) 0.027(6) Uani 1 1 d GU . .
C2 C 0.5442(5) -0.1404(9) 0.2544(3) 0.026(4) Uani 1 1 d GU . .
H2 H 0.5367 -0.2080 0.2350 0.032 Uiso 1 1 calc R . .
C3 C 0.5635(5) -0.1797(8) 0.2909(3) 0.037(5) Uani 1 1 d GU . .
H3 H 0.5692 -0.2741 0.2964 0.045 Uiso 1 1 calc R . .
C4 C 0.5745(5) -0.0808(11) 0.3192(3) 0.037(4) Uani 1 1 d GU . .
H4 H 0.5877 -0.1077 0.3441 0.045 Uiso 1 1 calc R . .
C5 C 0.5661(5) 0.0573(10) 0.3111(3) 0.034(4) Uani 1 1 d GU . .
H5 H 0.5735 0.1249 0.3305 0.040 Uiso 1 1 calc R . .
C6 C 0.5467(5) 0.0966(8) 0.2746(3) 0.030(4) Uani 1 1 d GU . .
H6 H 0.5410 0.1911 0.2690 0.036 Uiso 1 1 calc R . .
C7 C 0.5216(4) -0.0948(10) 0.1651(3) 0.028(4) Uani 1 1 d GU . .
C8 C 0.5737(3) -0.1087(10) 0.1576(3) 0.027(4) Uani 1 1 d GU . .
H8 H 0.5977 -0.0507 0.1706 0.033 Uiso 1 1 calc R . .
C9 C 0.5908(3) -0.2075(11) 0.1311(3) 0.041(5) Uani 1 1 d GU . .
H9 H 0.6265 -0.2170 0.1259 0.049 Uiso 1 1 calc R . .
C10 C 0.5558(4) -0.2923(10) 0.1121(3) 0.034(4) Uani 1 1 d GU . .
H10 H 0.5675 -0.3599 0.0940 0.041 Uiso 1 1 calc R . .
C11 C 0.5036(3) -0.2784(10) 0.1196(3) 0.027(4) Uani 1 1 d GU . .
H11 H 0.4797 -0.3364 0.1066 0.033 Uiso 1 1 calc R . .
C12 C 0.4866(3) -0.1796(11) 0.1461(3) 0.022(4) Uani 1 1 d GU . .
H12 H 0.4509 -0.1701 0.1513 0.026 Uiso 1 1 calc R . .
C13 C 0.5458(3) 0.1805(10) 0.1796(3) 0.026(4) Uani 1 1 d GU . .
C14 C 0.5939(4) 0.2082(10) 0.1953(2) 0.025(4) Uani 1 1 d GU . .
H14 H 0.6045 0.1640 0.2189 0.030 Uiso 1 1 calc R . .
C15 C 0.6264(3) 0.3004(11) 0.1765(3) 0.027(4) Uani 1 1 d GU . .
H15 H 0.6593 0.3193 0.1873 0.033 Uiso 1 1 calc R . .
C16 C 0.6108(4) 0.3650(10) 0.1420(3) 0.040(4) Uani 1 1 d GU . .
H16 H 0.6331 0.4280 0.1292 0.048 Uiso 1 1 calc R . .
C17 C 0.5627(4) 0.3373(11) 0.1263(3) 0.031(4) Uani 1 1 d GU . .
H17 H 0.5520 0.3815 0.1027 0.038 Uiso 1 1 calc R . .
C18 C 0.5302(3) 0.2451(11) 0.1451(3) 0.020(3) Uani 1 1 d GU . .
C19 C 0.4190(3) 0.0746(10) 0.1106(3) 0.014(3) Uani 1 1 d GU . .
C20 C 0.4013(3) -0.0274(11) 0.0854(3) 0.028(4) Uani 1 1 d GU . .
H20 H 0.3675 -0.0624 0.0884 0.034 Uiso 1 1 calc R . .
C21 C 0.4330(4) -0.0782(10) 0.0559(3) 0.034(4) Uani 1 1 d GU . .
H21 H 0.4208 -0.1480 0.0386 0.041 Uiso 1 1 calc R . .
C22 C 0.4824(4) -0.0270(11) 0.0516(3) 0.031(4) Uani 1 1 d GU . .
H22 H 0.5041 -0.0617 0.0314 0.038 Uiso 1 1 calc R . .
C23 C 0.5002(3) 0.0750(11) 0.0768(3) 0.025(4) Uani 1 1 d GU . .
H23 H 0.5339 0.1100 0.0738 0.030 Uiso 1 1 calc R . .
C24 C 0.4685(4) 0.1258(9) 0.1063(3) 0.026(4) Uani 1 1 d GU . .
C25 C 0.3689(4) 0.3151(8) 0.1408(3) 0.017(3) Uani 1 1 d GU . .
C26 C 0.3873(4) 0.3728(9) 0.1061(3) 0.018(3) Uani 1 1 d GU . .
H26 H 0.4056 0.3177 0.0878 0.022 Uiso 1 1 calc R . .
C27 C 0.3790(5) 0.5112(10) 0.0983(3) 0.031(6) Uani 1 1 d GU . .
H27 H 0.3917 0.5507 0.0746 0.037 Uiso 1 1 calc R . .
C28 C 0.3523(5) 0.5919(8) 0.1251(3) 0.034(4) Uani 1 1 d GU . .
H28 H 0.3466 0.6865 0.1198 0.041 Uiso 1 1 calc R . .
C29 C 0.3338(5) 0.5342(11) 0.1598(3) 0.042(5) Uani 1 1 d GU . .
H29 H 0.3155 0.5893 0.1781 0.051 Uiso 1 1 calc R . .
C30 C 0.3421(4) 0.3958(11) 0.1677(3) 0.026(4) Uani 1 1 d GU . .
H30 H 0.3295 0.3563 0.1914 0.031 Uiso 1 1 calc R . .
C31 C 0.3177(3) 0.0625(10) 0.1433(3) 0.018(3) Uani 1 1 d GU . .
C32 C 0.2871(4) 0.1224(8) 0.1144(3) 0.025(4) Uani 1 1 d GU . .
H32 H 0.2976 0.2057 0.1022 0.030 Uiso 1 1 calc R . .
C33 C 0.2413(3) 0.0605(10) 0.1034(3) 0.024(4) Uani 1 1 d GU . .
H33 H 0.2204 0.1014 0.0837 0.029 Uiso 1 1 calc R . .
C34 C 0.2260(3) -0.0614(10) 0.1213(3) 0.032(4) Uani 1 1 d GU . .
H34 H 0.1946 -0.1037 0.1138 0.038 Uiso 1 1 calc R . .
C35 C 0.2565(4) -0.1213(9) 0.1501(3) 0.038(5) Uani 1 1 d GU . .
H35 H 0.2460 -0.2046 0.1623 0.045 Uiso 1 1 calc R . .
C36 C 0.3024(4) -0.0594(10) 0.1611(3) 0.026(4) Uani 1 1 d GU . .
H36 H 0.3232 -0.1003 0.1808 0.031 Uiso 1 1 calc R . .
C37 C 0.4313(6) -0.0271(17) 0.3000(5) 0.013(3) Uani 1 1 d U . .
H37 H 0.4302 -0.1150 0.2879 0.016 Uiso 1 1 calc R . .
C38 C 0.4303(6) -0.0218(17) 0.3412(5) 0.016(3) Uani 1 1 d U . .
H38 H 0.4318 -0.1048 0.3559 0.019 Uiso 1 1 calc R . .
C39 C 0.4271(6) 0.0979(17) 0.3603(5) 0.028(4) Uani 1 1 d U . .
H39 H 0.4245 0.1022 0.3882 0.034 Uiso 1 1 calc R . .
C40 C 0.4278(6) 0.2142(19) 0.3376(5) 0.030(4) Uani 1 1 d U . .
H40 H 0.4253 0.3018 0.3498 0.036 Uiso 1 1 calc R . .
C41 C 0.4321(6) 0.2050(16) 0.2960(5) 0.021(3) Uani 1 1 d U . .
C42 C 0.4377(6) 0.3273(15) 0.2704(4) 0.014(3) Uani 1 1 d U . .
C43 C 0.4489(6) 0.4600(19) 0.2845(5) 0.026(4) Uani 1 1 d U . .
H43 H 0.4490 0.4765 0.3121 0.031 Uiso 1 1 calc R . .
C44 C 0.4596(6) 0.5640(17) 0.2596(5) 0.025(4) Uani 1 1 d U . .
H44 H 0.4655 0.6548 0.2688 0.030 Uiso 1 1 calc R . .
C45 C 0.4616(6) 0.531(2) 0.2186(6) 0.028(4) Uani 1 1 d U . .
H45 H 0.4709 0.5999 0.2001 0.033 Uiso 1 1 calc R . .
C46 C 0.4503(6) 0.4026(16) 0.2057(5) 0.022(4) Uani 1 1 d U . .
H46 H 0.4513 0.3843 0.1782 0.027 Uiso 1 1 calc R . .
Ru2 Ru 0.32929(5) 0.59839(12) 0.40968(3) 0.0159(3) Uani 1 1 d U . .
Cl3 Cl 0.34453(15) 0.3586(4) 0.41168(13) 0.0237(9) Uani 1 1 d U . .
Cl4 Cl 0.41628(15) 0.6345(4) 0.38448(12) 0.0244(9) Uani 1 1 d U . .
P3 P 0.36327(16) 0.6336(4) 0.47273(12) 0.0178(9) Uani 1 1 d U . .
P4 P 0.24444(16) 0.5534(4) 0.42532(12) 0.0180(9) Uani 1 1 d U . .
O2 O 0.2665(4) 0.7412(11) 0.4931(3) 0.022(2) Uani 1 1 d U . .
N3 N 0.3099(5) 0.7992(12) 0.3942(3) 0.015(3) Uani 1 1 d U . .
N4 N 0.3161(5) 0.5832(13) 0.3476(4) 0.016(3) Uani 1 1 d U . .
C47 C 0.4274(3) 0.5551(11) 0.4841(3) 0.020(3) Uani 1 1 d GU . .
C48 C 0.4475(4) 0.4464(11) 0.4625(3) 0.040(5) Uani 1 1 d GU . .
H48 H 0.4293 0.4116 0.4404 0.048 Uiso 1 1 calc R . .
C49 C 0.4942(4) 0.3886(10) 0.4732(3) 0.034(4) Uani 1 1 d GU . .
H49 H 0.5079 0.3142 0.4584 0.041 Uiso 1 1 calc R . .
C50 C 0.5208(3) 0.4394(11) 0.5056(3) 0.034(4) Uani 1 1 d GU . .
H50 H 0.5528 0.3999 0.5129 0.041 Uiso 1 1 calc R . .
C51 C 0.5008(4) 0.5482(12) 0.5272(3) 0.041(5) Uani 1 1 d GU . .
H51 H 0.5190 0.5829 0.5493 0.049 Uiso 1 1 calc R . .
C52 C 0.4541(4) 0.6060(10) 0.5165(3) 0.026(4) Uani 1 1 d GU . .
H52 H 0.4404 0.6803 0.5313 0.031 Uiso 1 1 calc R . .
C53 C 0.3788(4) 0.8114(8) 0.4876(3) 0.026(4) Uani 1 1 d GU . .
C54 C 0.4058(5) 0.8909(12) 0.4606(3) 0.034(4) Uani 1 1 d GU . .
H54 H 0.4170 0.8516 0.4364 0.041 Uiso 1 1 calc R . .
C55 C 0.4164(5) 1.0279(11) 0.4689(3) 0.036(5) Uani 1 1 d GU . .
H55 H 0.4348 1.0822 0.4504 0.043 Uiso 1 1 calc R . .
C56 C 0.3999(5) 1.0854(8) 0.5042(3) 0.038(5) Uani 1 1 d GU . .
H56 H 0.4072 1.1790 0.5099 0.046 Uiso 1 1 calc R . .
C57 C 0.3730(5) 1.0059(9) 0.5312(3) 0.018(5) Uani 1 1 d GU . .
H57 H 0.3617 1.0452 0.5553 0.022 Uiso 1 1 calc R . .
C58 C 0.3624(4) 0.8689(9) 0.5229(3) 0.031(4) Uani 1 1 d GU . .
H58 H 0.3440 0.8146 0.5413 0.037 Uiso 1 1 calc R . .
C59 C 0.3237(3) 0.5779(10) 0.5148(3) 0.025(4) Uani 1 1 d GU . .
C60 C 0.3391(3) 0.4771(11) 0.5413(3) 0.021(4) Uani 1 1 d GU . .
H60 H 0.3725 0.4383 0.5394 0.025 Uiso 1 1 calc R . .
C61 C 0.3057(4) 0.4330(9) 0.5706(3) 0.031(4) Uani 1 1 d GU . .
H61 H 0.3163 0.3641 0.5887 0.037 Uiso 1 1 calc R . .
C62 C 0.2570(3) 0.4897(10) 0.5735(3) 0.019(4) Uani 1 1 d GU . .
H62 H 0.2341 0.4595 0.5935 0.023 Uiso 1 1 calc R . .
C63 C 0.2416(3) 0.5905(10) 0.5470(3) 0.030(4) Uani 1 1 d GU . .
H63 H 0.2082 0.6293 0.5489 0.036 Uiso 1 1 calc R . .
C64 C 0.2749(3) 0.6346(9) 0.5176(3) 0.014(3) Uani 1 1 d GU . .
C65 C 0.2023(3) 0.6945(9) 0.4438(3) 0.018(3) Uani 1 1 d GU . .
C66 C 0.1565(4) 0.7318(10) 0.4257(2) 0.030(4) Uani 1 1 d GU . .
H66 H 0.1451 0.6839 0.4030 0.035 Uiso 1 1 calc R . .
C67 C 0.1275(3) 0.8391(11) 0.4410(3) 0.030(4) Uani 1 1 d GU . .
H67 H 0.0962 0.8645 0.4286 0.036 Uiso 1 1 calc R . .
C68 C 0.1442(4) 0.9091(9) 0.4743(3) 0.035(4) Uani 1 1 d GU . .
H68 H 0.1244 0.9824 0.4847 0.042 Uiso 1 1 calc R . .
C69 C 0.1900(4) 0.8719(10) 0.4923(2) 0.023(3) Uani 1 1 d GU . .
H69 H 0.2014 0.9197 0.5151 0.028 Uiso 1 1 calc R . .
C70 C 0.2190(3) 0.7646(10) 0.4771(3) 0.019(3) Uani 1 1 d GU . .
C71 C 0.2216(4) 0.4188(10) 0.4602(3) 0.026(4) Uani 1 1 d GU . .
C72 C 0.2548(3) 0.3242(11) 0.4772(3) 0.026(4) Uani 1 1 d GU . .
H72 H 0.2902 0.3256 0.4707 0.031 Uiso 1 1 calc R . .
C73 C 0.2361(4) 0.2274(10) 0.5037(3) 0.034(4) Uani 1 1 d GU . .
H73 H 0.2588 0.1627 0.5153 0.041 Uiso 1 1 calc R . .
C74 C 0.1843(4) 0.2253(10) 0.5132(3) 0.032(4) Uani 1 1 d GU . .
H74 H 0.1715 0.1592 0.5313 0.038 Uiso 1 1 calc R . .
C75 C 0.1511(3) 0.3199(10) 0.4961(3) 0.025(4) Uani 1 1 d GU . .
H75 H 0.1156 0.3185 0.5026 0.029 Uiso 1 1 calc R . .
C76 C 0.1697(3) 0.4167(9) 0.4696(3) 0.026(4) Uani 1 1 d GU . .
H76 H 0.1470 0.4814 0.4580 0.032 Uiso 1 1 calc R . .
C77 C 0.2114(4) 0.4996(9) 0.3803(3) 0.007(4) Uani 1 1 d GU . .
C78 C 0.2033(4) 0.3607(8) 0.3731(3) 0.029(4) Uani 1 1 d GU . .
H78 H 0.2103 0.2950 0.3931 0.034 Uiso 1 1 calc R . .
C79 C 0.1850(5) 0.3178(8) 0.3366(3) 0.040(5) Uani 1 1 d GU . .
H79 H 0.1794 0.2229 0.3317 0.048 Uiso 1 1 calc R . .
C80 C 0.1747(5) 0.4139(11) 0.3074(3) 0.038(4) Uani 1 1 d GU . .
H80 H 0.1622 0.3846 0.2825 0.046 Uiso 1 1 calc R . .
C81 C 0.1828(5) 0.5528(10) 0.3145(3) 0.040(5) Uani 1 1 d GU . .
H81 H 0.1758 0.6185 0.2945 0.049 Uiso 1 1 calc R . .
C82 C 0.2011(5) 0.5957(7) 0.3510(3) 0.030(4) Uani 1 1 d GU . .
H82 H 0.2067 0.6907 0.3559 0.036 Uiso 1 1 calc R . .
C83 C 0.3011(6) 0.9058(15) 0.4176(4) 0.019(3) Uani 1 1 d U . .
H83 H 0.3020 0.8893 0.4452 0.023 Uiso 1 1 calc R . .
C84 C 0.2910(6) 1.037(2) 0.4057(5) 0.023(3) Uani 1 1 d U . .
H84 H 0.2855 1.1094 0.4241 0.027 Uiso 1 1 calc R . .
C85 C 0.2892(6) 1.0602(18) 0.3651(5) 0.027(4) Uani 1 1 d U . .
H85 H 0.2806 1.1484 0.3551 0.032 Uiso 1 1 calc R . .
C86 C 0.2999(6) 0.9539(18) 0.3399(5) 0.020(3) Uani 1 1 d U . .
H86 H 0.3009 0.9695 0.3123 0.024 Uiso 1 1 calc R . .
C87 C 0.3091(6) 0.8227(17) 0.3549(5) 0.023(4) Uani 1 1 d U . .
C88 C 0.3164(6) 0.7025(16) 0.3293(5) 0.021(3) Uani 1 1 d U . .
C89 C 0.3211(6) 0.7133(19) 0.2890(5) 0.031(4) Uani 1 1 d U . .
H89 H 0.3228 0.7999 0.2761 0.037 Uiso 1 1 calc R . .
C90 C 0.3234(7) 0.589(2) 0.2680(6) 0.040(5) Uani 1 1 d U . .
H90 H 0.3287 0.5916 0.2403 0.049 Uiso 1 1 calc R . .
C91 C 0.3181(8) 0.459(2) 0.2866(6) 0.040(5) Uani 1 1 d U . .
H91 H 0.3163 0.3763 0.2718 0.048 Uiso 1 1 calc R . .
C92 C 0.3158(7) 0.459(2) 0.3276(6) 0.031(4) Uani 1 1 d U . .
H92 H 0.3140 0.3749 0.3417 0.037 Uiso 1 1 calc R . .
C93 C 0.2142(11) 0.188(3) 0.2035(9) 0.082(8) Uani 1 1 d U . .
H93A H 0.2127 0.1356 0.1785 0.099 Uiso 1 1 calc R . .
H93B H 0.2504 0.1898 0.2122 0.099 Uiso 1 1 calc R . .
Cl5 Cl 0.1784(3) 0.1047(7) 0.2381(2) 0.0720(18) Uani 1 1 d U . .
Cl6 Cl 0.1935(3) 0.3622(8) 0.1941(2) 0.087(2) Uani 1 1 d U . .
C94 C 0.0327(11) 0.316(3) 0.4259(8) 0.077(8) Uani 1 1 d U . .
H94A H 0.0389 0.3604 0.4517 0.092 Uiso 1 1 calc R . .
H94B H -0.0045 0.3209 0.4204 0.092 Uiso 1 1 calc R . .
Cl7 Cl 0.0675(3) 0.4099(8) 0.3877(2) 0.082(2) Uani 1 1 d U . .
Cl8 Cl 0.0514(4) 0.1480(11) 0.4281(3) 0.117(3) Uani 1 1 d 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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
N2 Ru1 N1 78.0(5) . . ?
N2 Ru1 P1 92.2(4) . . ?
N1 Ru1 P1 93.1(4) . . ?
N2 Ru1 P2 99.6(3) . . ?
N1 Ru1 P2 166.0(4) . . ?
P1 Ru1 P2 100.85(15) . . ?
N2 Ru1 Cl1 166.1(3) . . ?
N1 Ru1 Cl1 88.1(4) . . ?
P1 Ru1 Cl1 88.22(15) . . ?
P2 Ru1 Cl1 94.04(14) . . ?
N2 Ru1 Cl2 89.1(4) . . ?
N1 Ru1 Cl2 80.6(4) . . ?
P1 Ru1 Cl2 173.08(15) . . ?
P2 Ru1 Cl2 85.61(14) . . ?
Cl1 Ru1 Cl2 88.87(13) . . ?
C13 P1 C1 101.6(5) . . ?
C13 P1 C7 96.9(5) . . ?
C1 P1 C7 102.7(5) . . ?
C13 P1 Ru1 121.3(4) . . ?
C1 P1 Ru1 106.8(4) . . ?
C7 P1 Ru1 124.3(4) . . ?
C19 P2 C25 101.5(5) . . ?
C19 P2 C31 100.6(5) . . ?
C25 P2 C31 96.9(5) . . ?
C19 P2 Ru1 118.3(4) . . ?
C25 P2 Ru1 117.0(4) . . ?
C31 P2 Ru1 118.9(3) . . ?
C24 O1 C18 121.8(10) . . ?
C42 N2 C46 116.7(13) . . ?
C42 N2 Ru1 116.7(9) . . ?
C46 N2 Ru1 126.6(10) . . ?
C37 N1 C41 116.6(15) . . ?
C37 N1 Ru1 129.7(11) . . ?
C41 N1 Ru1 111.4(10) . . ?
C2 C1 C6 120.0 . . ?
C2 C1 P1 119.0(6) . . ?
C6 C1 P1 120.5(6) . . ?
C1 C2 C3 120.0 . . ?
C1 C2 H2 120.0 . . ?
C3 C2 H2 120.0 . . ?
C4 C3 C2 120.0 . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
C5 C4 C3 120.0 . . ?
C5 C4 H4 120.0 . . ?
C3 C4 H4 120.0 . . ?
C6 C5 C4 120.0 . . ?
C6 C5 H5 120.0 . . ?
C4 C5 H5 120.0 . . ?
C5 C6 C1 120.0 . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C8 C7 C12 120.0 . . ?
C8 C7 P1 116.8(6) . . ?
C12 C7 P1 123.2(6) . . ?
C7 C8 C9 120.0 . . ?
C7 C8 H8 120.0 . . ?
C9 C8 H8 120.0 . . ?
C10 C9 C8 120.0 . . ?
C10 C9 H9 120.0 . . ?
C8 C9 H9 120.0 . . ?
C9 C10 C11 120.0 . . ?
C9 C10 H10 120.0 . . ?
C11 C10 H10 120.0 . . ?
C12 C11 C10 120.0 . . ?
C12 C11 H11 120.0 . . ?
C10 C11 H11 120.0 . . ?
C11 C12 C7 120.0 . . ?
C11 C12 H12 120.0 . . ?
C7 C12 H12 120.0 . . ?
C14 C13 C18 120.0 . . ?
C14 C13 P1 123.1(5) . . ?
C18 C13 P1 116.6(5) . . ?
C13 C14 C15 120.0 . . ?
C13 C14 H14 120.0 . . ?
C15 C14 H14 120.0 . . ?
C16 C15 C14 120.0 . . ?
C16 C15 H15 120.0 . . ?
C14 C15 H15 120.0 . . ?
C15 C16 C17 120.0 . . ?
C15 C16 H16 120.0 . . ?
C17 C16 H16 120.0 . . ?
C16 C17 C18 120.0 . . ?
C16 C17 H17 120.0 . . ?
C18 C17 H17 120.0 . . ?
O1 C18 C17 118.4(8) . . ?
O1 C18 C13 121.3(8) . . ?
C17 C18 C13 120.0 . . ?
C20 C19 C24 120.0 . . ?
C20 C19 P2 123.3(6) . . ?
C24 C19 P2 116.3(6) . . ?
C21 C20 C19 120.0 . . ?
C21 C20 H20 120.0 . . ?
C19 C20 H20 120.0 . . ?
C20 C21 C22 120.0 . . ?
C20 C21 H21 120.0 . . ?
C22 C21 H21 120.0 . . ?
C23 C22 C21 120.0 . . ?
C23 C22 H22 120.0 . . ?
C21 C22 H22 120.0 . . ?
C22 C23 C24 120.0 . . ?
C22 C23 H23 120.0 . . ?
C24 C23 H23 120.0 . . ?
O1 C24 C23 124.2(8) . . ?
O1 C24 C19 115.7(8) . . ?
C23 C24 C19 120.0 . . ?
C26 C25 C30 120.0 . . ?
C26 C25 P2 121.5(5) . . ?
C30 C25 P2 118.3(5) . . ?
C27 C26 C25 120.0 . . ?
C27 C26 H26 120.0 . . ?
C25 C26 H26 120.0 . . ?
C28 C27 C26 120.0 . . ?
C28 C27 H27 120.0 . . ?
C26 C27 H27 120.0 . . ?
C27 C28 C29 120.0 . . ?
C27 C28 H28 120.0 . . ?
C29 C28 H28 120.0 . . ?
C30 C29 C28 120.0 . . ?
C30 C29 H29 120.0 . . ?
C28 C29 H29 120.0 . . ?
C29 C30 C25 120.0 . . ?
C29 C30 H30 120.0 . . ?
C25 C30 H30 120.0 . . ?
C32 C31 C36 120.0 . . ?
C32 C31 P2 120.4(5) . . ?
C36 C31 P2 119.3(5) . . ?
C33 C32 C31 120.0 . . ?
C33 C32 H32 120.0 . . ?
C31 C32 H32 120.0 . . ?
C32 C33 C34 120.0 . . ?
C32 C33 H33 120.0 . . ?
C34 C33 H33 120.0 . . ?
C35 C34 C33 120.0 . . ?
C35 C34 H34 120.0 . . ?
C33 C34 H34 120.0 . . ?
C34 C35 C36 120.0 . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C35 C36 C31 120.0 . . ?
C35 C36 H36 120.0 . . ?
C31 C36 H36 120.0 . . ?
N1 C37 C38 124.4(16) . . ?
N1 C37 H37 117.8 . . ?
C38 C37 H37 117.8 . . ?
C39 C38 C37 121.1(16) . . ?
C39 C38 H38 119.4 . . ?
C37 C38 H38 119.4 . . ?
C38 C39 C40 116.6(17) . . ?
C38 C39 H39 121.7 . . ?
C40 C39 H39 121.7 . . ?
C39 C40 C41 120.6(17) . . ?
C39 C40 H40 119.7 . . ?
C41 C40 H40 119.7 . . ?
N1 C41 C40 120.5(15) . . ?
N1 C41 C42 116.7(13) . . ?
C40 C41 C42 122.7(14) . . ?
N2 C42 C43 122.4(14) . . ?
N2 C42 C41 113.3(13) . . ?
C43 C42 C41 123.8(13) . . ?
C44 C43 C42 121.1(17) . . ?
C44 C43 H43 119.4 . . ?
C42 C43 H43 119.5 . . ?
C43 C44 C45 116.7(17) . . ?
C43 C44 H44 121.6 . . ?
C45 C44 H44 121.6 . . ?
C46 C45 C44 121.0(18) . . ?
C46 C45 H45 119.5 . . ?
C44 C45 H45 119.5 . . ?
C45 C46 N2 122.0(16) . . ?
C45 C46 H46 119.0 . . ?
N2 C46 H46 119.0 . . ?
N3 Ru2 N4 77.1(5) . . ?
N3 Ru2 P4 90.2(4) . . ?
N4 Ru2 P4 93.4(4) . . ?
N3 Ru2 P3 100.7(3) . . ?
N4 Ru2 P3 166.1(4) . . ?
P4 Ru2 P3 100.35(15) . . ?
N3 Ru2 Cl3 166.2(3) . . ?
N4 Ru2 Cl3 89.3(3) . . ?
P4 Ru2 Cl3 88.14(15) . . ?
P3 Ru2 Cl3 93.11(14) . . ?
N3 Ru2 Cl4 90.1(4) . . ?
N4 Ru2 Cl4 79.4(4) . . ?
P4 Ru2 Cl4 172.46(15) . . ?
P3 Ru2 Cl4 86.99(14) . . ?
Cl3 Ru2 Cl4 89.78(14) . . ?
C59 P3 C53 100.8(5) . . ?
C59 P3 C47 102.7(5) . . ?
C53 P3 C47 97.4(5) . . ?
C59 P3 Ru2 117.0(4) . . ?
C53 P3 Ru2 118.0(4) . . ?
C47 P3 Ru2 117.8(4) . . ?
C77 P4 C71 100.3(5) . . ?
C77 P4 C65 102.3(5) . . ?
C71 P4 C65 96.7(5) . . ?
C77 P4 Ru2 108.2(4) . . ?
C71 P4 Ru2 125.7(4) . . ?
C65 P4 Ru2 120.0(4) . . ?
C64 O2 C70 121.3(10) . . ?
C83 N3 C87 117.0(13) . . ?
C83 N3 Ru2 128.6(10) . . ?
C87 N3 Ru2 114.3(10) . . ?
C88 N4 C92 122.5(15) . . ?
C88 N4 Ru2 113.7(10) . . ?
C92 N4 Ru2 123.0(11) . . ?
C48 C47 C52 120.0 . . ?
C48 C47 P3 122.4(6) . . ?
C52 C47 P3 117.6(6) . . ?
C49 C48 C47 120.0 . . ?
C49 C48 H48 120.0 . . ?
C47 C48 H48 120.0 . . ?
C50 C49 C48 120.0 . . ?
C50 C49 H49 120.0 . . ?
C48 C49 H49 120.0 . . ?
C49 C50 C51 120.0 . . ?
C49 C50 H50 120.0 . . ?
C51 C50 H50 120.0 . . ?
C52 C51 C50 120.0 . . ?
C52 C51 H51 120.0 . . ?
C50 C51 H51 120.0 . . ?
C51 C52 C47 120.0 . . ?
C51 C52 H52 120.0 . . ?
C47 C52 H52 120.0 . . ?
C54 C53 C58 120.0 . . ?
C54 C53 P3 116.9(6) . . ?
C58 C53 P3 123.0(6) . . ?
C55 C54 C53 120.0 . . ?
C55 C54 H54 120.0 . . ?
C53 C54 H54 120.0 . . ?
C56 C55 C54 120.0 . . ?
C56 C55 H55 120.0 . . ?
C54 C55 H55 120.0 . . ?
C55 C56 C57 120.0 . . ?
C55 C56 H56 120.0 . . ?
C57 C56 H56 120.0 . . ?
C58 C57 C56 120.0 . . ?
C58 C57 H57 120.0 . . ?
C56 C57 H57 120.0 . . ?
C57 C58 C53 120.0 . . ?
C57 C58 H58 120.0 . . ?
C53 C58 H58 120.0 . . ?
C60 C59 C64 120.0 . . ?
C60 C59 P3 123.1(5) . . ?
C64 C59 P3 116.7(5) . . ?
C59 C60 C61 120.0 . . ?
C59 C60 H60 120.0 . . ?
C61 C60 H60 120.0 . . ?
C62 C61 C60 120.0 . . ?
C62 C61 H61 120.0 . . ?
C60 C61 H61 120.0 . . ?
C61 C62 C63 120.0 . . ?
C61 C62 H62 120.0 . . ?
C63 C62 H62 120.0 . . ?
C62 C63 C64 120.0 . . ?
C62 C63 H63 120.0 . . ?
C64 C63 H63 120.0 . . ?
O2 C64 C63 125.3(8) . . ?
O2 C64 C59 114.3(8) . . ?
C63 C64 C59 120.0 . . ?
C66 C65 C70 120.0 . . ?
C66 C65 P4 123.3(5) . . ?
C70 C65 P4 116.7(5) . . ?
C67 C66 C65 120.0 . . ?
C67 C66 H66 120.0 . . ?
C65 C66 H66 120.0 . . ?
C66 C67 C68 120.0 . . ?
C66 C67 H67 120.0 . . ?
C68 C67 H67 120.0 . . ?
C69 C68 C67 120.0 . . ?
C69 C68 H68 120.0 . . ?
C67 C68 H68 120.0 . . ?
C68 C69 C70 120.0 . . ?
C68 C69 H69 120.0 . . ?
C70 C69 H69 120.0 . . ?
O2 C70 C69 117.9(7) . . ?
O2 C70 C65 121.7(7) . . ?
C69 C70 C65 120.0 . . ?
C72 C71 C76 120.0 . . ?
C72 C71 P4 122.0(6) . . ?
C76 C71 P4 118.0(6) . . ?
C73 C72 C71 120.0 . . ?
C73 C72 H72 120.0 . . ?
C71 C72 H72 120.0 . . ?
C74 C73 C72 120.0 . . ?
C74 C73 H73 120.0 . . ?
C72 C73 H73 120.0 . . ?
C73 C74 C75 120.0 . . ?
C73 C74 H74 120.0 . . ?
C75 C74 H74 120.0 . . ?
C74 C75 C76 120.0 . . ?
C74 C75 H75 120.0 . . ?
C76 C75 H75 120.0 . . ?
C75 C76 C71 120.0 . . ?
C75 C76 H76 120.0 . . ?
C71 C76 H76 120.0 . . ?
C78 C77 C82 120.0 . . ?
C78 C77 P4 119.7(5) . . ?
C82 C77 P4 119.7(5) . . ?
C77 C78 C79 120.0 . . ?
C77 C78 H78 120.0 . . ?
C79 C78 H78 120.0 . . ?
C80 C79 C78 120.0 . . ?
C80 C79 H79 120.0 . . ?
C78 C79 H79 120.0 . . ?
C81 C80 C79 120.0 . . ?
C81 C80 H80 120.0 . . ?
C79 C80 H80 120.0 . . ?
C80 C81 C82 120.0 . . ?
C80 C81 H81 120.0 . . ?
C82 C81 H81 120.0 . . ?
C81 C82 C77 120.0 . . ?
C81 C82 H82 120.0 . . ?
C77 C82 H82 120.0 . . ?
N3 C83 C84 126.1(15) . . ?
N3 C83 H83 117.0 . . ?
C84 C83 H83 117.0 . . ?
C83 C84 C85 116.5(17) . . ?
C83 C84 H84 121.7 . . ?
C85 C84 H84 121.7 . . ?
C86 C85 C84 119.2(17) . . ?
C86 C85 H85 120.4 . . ?
C84 C85 H85 120.4 . . ?
C85 C86 C87 119.9(16) . . ?
C85 C86 H86 120.1 . . ?
C87 C86 H86 120.1 . . ?
N3 C87 C86 121.1(15) . . ?
N3 C87 C88 116.5(14) . . ?
C86 C87 C88 122.3(14) . . ?
N4 C88 C89 122.4(15) . . ?
N4 C88 C87 115.0(13) . . ?
C89 C88 C87 122.5(15) . . ?
C88 C89 C90 116.1(17) . . ?
C88 C89 H89 121.9 . . ?
C90 C89 H89 121.9 . . ?
C89 C90 C91 123(2) . . ?
C89 C90 H90 118.7 . . ?
C91 C90 H90 118.7 . . ?
C92 C91 C90 117(2) . . ?
C92 C91 H91 121.7 . . ?
C90 C91 H91 121.7 . . ?
N4 C92 C91 119(2) . . ?
N4 C92 H92 120.3 . . ?
C91 C92 H92 120.3 . . ?
Cl5 C93 Cl6 113.8(16) . . ?
Cl5 C93 H93A 108.8 . . ?
Cl6 C93 H93A 108.8 . . ?
Cl5 C93 H93B 108.8 . . ?
Cl6 C93 H93B 108.8 . . ?
H93A C93 H93B 107.7 . . ?
Cl8 C94 Cl7 111.6(16) . . ?
Cl8 C94 H94A 109.3 . . ?
Cl7 C94 H94A 109.3 . . ?
Cl8 C94 H94B 109.3 . . ?
Cl7 C94 H94B 109.3 . . ?
H94A C94 H94B 108.0 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 N2 2.079(12) . ?
Ru1 N1 2.120(13) . ?
Ru1 P1 2.299(4) . ?
Ru1 P2 2.332(4) . ?
Ru1 Cl1 2.392(4) . ?
Ru1 Cl2 2.451(4) . ?
P1 C13 1.862(8) . ?
P1 C1 1.866(9) . ?
P1 C7 1.874(8) . ?
P2 C19 1.846(8) . ?
P2 C25 1.860(8) . ?
P2 C31 1.882(8) . ?
O1 C24 1.361(12) . ?
O1 C18 1.363(12) . ?
N2 C42 1.352(18) . ?
N2 C46 1.394(19) . ?
N1 C37 1.28(2) . ?
N1 C41 1.38(2) . ?
C1 C2 1.3900 . ?
C1 C6 1.3900 . ?
C2 C3 1.3900 . ?
C2 H2 0.9500 . ?
C3 C4 1.3900 . ?
C3 H3 0.9500 . ?
C4 C5 1.3900 . ?
C4 H4 0.9500 . ?
C5 C6 1.3900 . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.3900 . ?
C7 C12 1.3900 . ?
C8 C9 1.3900 . ?
C8 H8 0.9500 . ?
C9 C10 1.3900 . ?
C9 H9 0.9500 . ?
C10 C11 1.3900 . ?
C10 H10 0.9500 . ?
C11 C12 1.3900 . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13 C14 1.3900 . ?
C13 C18 1.3900 . ?
C14 C15 1.3900 . ?
C14 H14 0.9500 . ?
C15 C16 1.3900 . ?
C15 H15 0.9500 . ?
C16 C17 1.3900 . ?
C16 H16 0.9500 . ?
C17 C18 1.3900 . ?
C17 H17 0.9500 . ?
C19 C20 1.3900 . ?
C19 C24 1.3900 . ?
C20 C21 1.3900 . ?
C20 H20 0.9500 . ?
C21 C22 1.3900 . ?
C21 H21 0.9500 . ?
C22 C23 1.3900 . ?
C22 H22 0.9500 . ?
C23 C24 1.3900 . ?
C23 H23 0.9500 . ?
C25 C26 1.3900 . ?
C25 C30 1.3900 . ?
C26 C27 1.3900 . ?
C26 H26 0.9500 . ?
C27 C28 1.3900 . ?
C27 H27 0.9500 . ?
C28 C29 1.3900 . ?
C28 H28 0.9500 . ?
C29 C30 1.3900 . ?
C29 H29 0.9500 . ?
C30 H30 0.9500 . ?
C31 C32 1.3900 . ?
C31 C36 1.3900 . ?
C32 C33 1.3900 . ?
C32 H32 0.9500 . ?
C33 C34 1.3900 . ?
C33 H33 0.9500 . ?
C34 C35 1.3900 . ?
C34 H34 0.9500 . ?
C35 C36 1.3900 . ?
C35 H35 0.9500 . ?
C36 H36 0.9500 . ?
C37 C38 1.40(2) . ?
C37 H37 0.9500 . ?
C38 C39 1.33(2) . ?
C38 H38 0.9500 . ?
C39 C40 1.37(2) . ?
C39 H39 0.9500 . ?
C40 C41 1.42(2) . ?
C40 H40 0.9500 . ?
C41 C42 1.48(2) . ?
C42 C43 1.41(2) . ?
C43 C44 1.35(2) . ?
C43 H43 0.9500 . ?
C44 C45 1.43(3) . ?
C44 H44 0.9500 . ?
C45 C46 1.36(2) . ?
C45 H45 0.9500 . ?
C46 H46 0.9500 . ?
Ru2 N3 2.086(12) . ?
Ru2 N4 2.139(12) . ?
Ru2 P4 2.317(4) . ?
Ru2 P3 2.341(4) . ?
Ru2 Cl3 2.368(4) . ?
Ru2 Cl4 2.450(4) . ?
P3 C59 1.843(8) . ?
P3 C53 1.848(9) . ?
P3 C47 1.879(9) . ?
P4 C77 1.832(9) . ?
P4 C71 1.863(8) . ?
P4 C65 1.867(8) . ?
O2 C64 1.348(12) . ?
O2 C70 1.370(12) . ?
N3 C83 1.327(18) . ?
N3 C87 1.351(19) . ?
N4 C88 1.317(19) . ?
N4 C92 1.39(2) . ?
C47 C48 1.3900 . ?
C47 C52 1.3900 . ?
C48 C49 1.3900 . ?
C48 H48 0.9500 . ?
C49 C50 1.3900 . ?
C49 H49 0.9500 . ?
C50 C51 1.3900 . ?
C50 H50 0.9500 . ?
C51 C52 1.3900 . ?
C51 H51 0.9500 . ?
C52 H52 0.9500 . ?
C53 C54 1.3900 . ?
C53 C58 1.3900 . ?
C54 C55 1.3900 . ?
C54 H54 0.9500 . ?
C55 C56 1.3900 . ?
C55 H55 0.9500 . ?
C56 C57 1.3900 . ?
C56 H56 0.9500 . ?
C57 C58 1.3900 . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
C59 C60 1.3900 . ?
C59 C64 1.3900 . ?
C60 C61 1.3900 . ?
C60 H60 0.9500 . ?
C61 C62 1.3900 . ?
C61 H61 0.9500 . ?
C62 C63 1.3900 . ?
C62 H62 0.9500 . ?
C63 C64 1.3900 . ?
C63 H63 0.9500 . ?
C65 C66 1.3900 . ?
C65 C70 1.3900 . ?
C66 C67 1.3900 . ?
C66 H66 0.9500 . ?
C67 C68 1.3900 . ?
C67 H67 0.9500 . ?
C68 C69 1.3900 . ?
C68 H68 0.9500 . ?
C69 C70 1.3900 . ?
C69 H69 0.9500 . ?
C71 C72 1.3900 . ?
C71 C76 1.3900 . ?
C72 C73 1.3900 . ?
C72 H72 0.9500 . ?
C73 C74 1.3900 . ?
C73 H73 0.9500 . ?
C74 C75 1.3900 . ?
C74 H74 0.9500 . ?
C75 C76 1.3900 . ?
C75 H75 0.9500 . ?
C76 H76 0.9500 . ?
C77 C78 1.3900 . ?
C77 C82 1.3900 . ?
C78 C79 1.3900 . ?
C78 H78 0.9500 . ?
C79 C80 1.3900 . ?
C79 H79 0.9500 . ?
C80 C81 1.3900 . ?
C80 H80 0.9500 . ?
C81 C82 1.3900 . ?
C81 H81 0.9500 . ?
C82 H82 0.9500 . ?
C83 C84 1.37(2) . ?
C83 H83 0.9500 . ?
C84 C85 1.40(2) . ?
C84 H84 0.9500 . ?
C85 C86 1.37(2) . ?
C85 H85 0.9500 . ?
C86 C87 1.40(2) . ?
C86 H86 0.9500 . ?
C87 C88 1.47(2) . ?
C88 C89 1.38(2) . ?
C89 C90 1.41(3) . ?
C89 H89 0.9500 . ?
C90 C91 1.42(3) . ?
C90 H90 0.9500 . ?
C91 C92 1.39(3) . ?
C91 H91 0.9500 . ?
C92 H92 0.9500 . ?
C93 Cl5 1.71(3) . ?
C93 Cl6 1.81(3) . ?
C93 H93A 0.9900 . ?
C93 H93B 0.9900 . ?
C94 Cl8 1.71(3) . ?
C94 Cl7 1.83(3) . ?
C94 H94A 0.9900 . ?
C94 H94B 0.9900 . ?
