#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:25:51 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178623 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/34/4073405.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_4073405
loop_
_publ_author_name
'Fournier, Pierre-André'
'Collins, Shawn K.'
_publ_section_title
;
 A Highly Active Chiral Ruthenium-Based Catalyst for Enantioselective
 Olefin Metathesis
;
_journal_issue                   12
_journal_name_full               Organometallics
_journal_page_first              2945
_journal_paper_doi               10.1021/om700312c
_journal_volume                  26
_journal_year                    2007
_chemical_absolute_configuration rmad
_chemical_compound_source        'Synthesized by the authors. See text'
_chemical_formula_moiety         'C46 H73 Cl2 N2 P Ru'
_chemical_formula_sum            'C46 H73 Cl2 N2 P Ru'
_chemical_formula_weight         857.00
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 100.8160(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   19.9387(11)
_cell_length_b                   11.3926(7)
_cell_length_c                   21.9592(12)
_cell_measurement_reflns_used    2446
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      66.13
_cell_measurement_theta_min      42.24
_cell_volume                     4899.5(5)
_computing_cell_refinement       'APEX2 (Bruker, 2004)'
_computing_data_collection       'APEX2 (Bruker, 2004)'
_computing_data_reduction        'SAINT (Bruker, 2004)'
_computing_molecular_graphics    'SHELXTL (Bruker, 1997)'
_computing_publication_material  'UdMX (local program)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 5.5
_diffrn_measured_fraction_theta_full 0.974
_diffrn_measured_fraction_theta_max 0.974
_diffrn_measurement_device_type  'Bruker Microstar'
_diffrn_measurement_method       ω
_diffrn_radiation_monochromator  'Helios optics'
_diffrn_radiation_source         'Micro source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.036
_diffrn_reflns_av_sigmaI/netI    0.0735
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            19237
_diffrn_reflns_theta_full        66.64
_diffrn_reflns_theta_max         66.64
_diffrn_reflns_theta_min         2.05
_diffrn_standards_decay_%        0.00
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    4.114
_exptl_absorpt_correction_T_max  0.8900
_exptl_absorpt_correction_T_min  0.6800
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sadabs (Sheldrick,1996)'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    1.162
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       platelet
_exptl_crystal_F_000             1824
_exptl_crystal_size_max          0.15
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.191
_refine_diff_density_min         -0.547
_refine_diff_density_rms         0.110
_refine_ls_abs_structure_details 'Flack H D (1983), 6698 Friedel Pairs'
_refine_ls_abs_structure_Flack   0.036(8)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.991
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     955
_refine_ls_number_reflns         15855
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.991
_refine_ls_R_factor_all          0.0654
_refine_ls_R_factor_gt           0.0543
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0828P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1237
_refine_ls_wR_factor_ref         0.1287
_reflns_number_gt                13514
_reflns_number_total             15855
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            om700312c-file002.cif
_cod_data_source_block           shaw10
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from
2010-06-29.

'_geom_bond_publ_flag' value 'Y' changed to 'y'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29 (114
times).

'_geom_angle_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (178
times).

'_geom_torsion_publ_flag' value 'Y' changed to 'y' according
to /home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary
named 'cif_core.dic' version 2.4.1 from 2010-06-29 (254 times).

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      P21
_cod_database_code               4073405
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
Ru1 Ru 0.32749(2) 0.76212(4) 0.587043(17) 0.01139(11) Uani 1 1 d .
Cl11 Cl 0.40213(8) 0.66338(14) 0.53256(6) 0.0184(3) Uani 1 1 d .
Cl12 Cl 0.25495(7) 0.88446(15) 0.63683(6) 0.0172(3) Uani 1 1 d .
C11 C 0.2885(3) 0.6319(6) 0.6157(3) 0.0219(16) Uani 1 1 d .
H11 H 0.2693 0.6494 0.6511 0.026 Uiso 1 1 calc R
C12 C 0.2794(3) 0.5080(6) 0.5980(3) 0.0168(14) Uani 1 1 d .
C13 C 0.2916(3) 0.4602(7) 0.5434(3) 0.0272(16) Uani 1 1 d .
H13 H 0.3067 0.5091 0.5136 0.033 Uiso 1 1 calc R
C14 C 0.2822(4) 0.3411(6) 0.5318(4) 0.041(2) Uani 1 1 d .
H14 H 0.2897 0.3094 0.4936 0.049 Uiso 1 1 calc R
C15 C 0.2623(4) 0.2690(8) 0.5748(4) 0.046(2) Uani 1 1 d .
H15 H 0.2576 0.1871 0.5670 0.055 Uiso 1 1 calc R
C16 C 0.2489(4) 0.3140(7) 0.6290(4) 0.038(2) Uani 1 1 d .
H16 H 0.2347 0.2636 0.6586 0.045 Uiso 1 1 calc R
C17 C 0.2562(3) 0.4332(6) 0.6406(3) 0.0245(16) Uani 1 1 d .
H17 H 0.2455 0.4647 0.6777 0.029 Uiso 1 1 calc R
C111 C 0.2591(3) 0.7766(6) 0.5035(2) 0.0157(13) Uani 1 1 d .
N112 N 0.2757(2) 0.8441(4) 0.4583(2) 0.0146(11) Uani 1 1 d .
C113 C 0.2152(3) 0.8593(6) 0.4070(3) 0.0182(13) Uani 1 1 d .
H113 H 0.2299 0.8480 0.3663 0.022 Uiso 1 1 calc R
C114 C 0.1709(3) 0.7560(7) 0.4186(3) 0.0192(13) Uani 1 1 d .
H114 H 0.1229 0.7848 0.4151 0.023 Uiso 1 1 calc R
N115 N 0.1975(2) 0.7281(5) 0.4843(2) 0.0182(12) Uani 1 1 d .
C116 C 0.3350(3) 0.9184(5) 0.4693(2) 0.0144(13) Uani 1 1 d .
C117 C 0.3828(3) 0.9183(5) 0.4299(3) 0.0158(13) Uani 1 1 d .
C118 C 0.4354(3) 0.9993(6) 0.4428(3) 0.0253(16) Uani 1 1 d .
H118 H 0.4686 1.0017 0.4170 0.030 Uiso 1 1 calc R
C119 C 0.4410(3) 1.0755(6) 0.4913(3) 0.0255(16) Uani 1 1 d .
H119 H 0.4775 1.1303 0.4981 0.031 Uiso 1 1 calc R
C120 C 0.3944(3) 1.0750(6) 0.5311(3) 0.0213(15) Uani 1 1 d .
H120 H 0.3983 1.1284 0.5648 0.026 Uiso 1 1 calc R
C121 C 0.3426(3) 0.9940(6) 0.5198(2) 0.0195(14) Uani 1 1 d .
H121 H 0.3110 0.9896 0.5472 0.023 Uiso 1 1 calc R
C122 C 0.3801(3) 0.8338(6) 0.3769(3) 0.0277(17) Uani 1 1 d .
H122 H 0.3433 0.7754 0.3793 0.033 Uiso 1 1 calc R
C123 C 0.4460(4) 0.7670(8) 0.3794(3) 0.044(2) Uani 1 1 d .
H12A H 0.4833 0.8225 0.3785 0.066 Uiso 1 1 calc R
H12B H 0.4416 0.7145 0.3435 0.066 Uiso 1 1 calc R
H12C H 0.4558 0.7207 0.4176 0.066 Uiso 1 1 calc R
C124 C 0.3622(4) 0.8960(7) 0.3139(3) 0.0334(18) Uani 1 1 d .
H12D H 0.3186 0.9373 0.3110 0.050 Uiso 1 1 calc R
H12E H 0.3584 0.8377 0.2806 0.050 Uiso 1 1 calc R
H12F H 0.3982 0.9525 0.3099 0.050 Uiso 1 1 calc R
C125 C 0.1802(3) 0.9810(7) 0.4073(3) 0.0272(16) Uani 1 1 d .
C126 C 0.1538(4) 1.0018(7) 0.4662(3) 0.0354(19) Uani 1 1 d .
H12G H 0.1208 0.9404 0.4711 0.053 Uiso 1 1 calc R
H12H H 0.1315 1.0787 0.4643 0.053 Uiso 1 1 calc R
H12I H 0.1919 0.9997 0.5016 0.053 Uiso 1 1 calc R
C127 C 0.2263(4) 1.0829(7) 0.3953(3) 0.0324(18) Uani 1 1 d .
H12J H 0.1994 1.1554 0.3891 0.049 Uiso 1 1 calc R
H12K H 0.2453 1.0663 0.3582 0.049 Uiso 1 1 calc R
H12L H 0.2635 1.0922 0.4311 0.049 Uiso 1 1 calc R
C128 C 0.1183(4) 0.9837(7) 0.3507(3) 0.0399(19) Uani 1 1 d .
H12M H 0.0874 0.9183 0.3543 0.060 Uiso 1 1 calc R
H12N H 0.1354 0.9765 0.3119 0.060 Uiso 1 1 calc R
H12O H 0.0936 1.0581 0.3509 0.060 Uiso 1 1 calc R
C129 C 0.1699(3) 0.6475(6) 0.3748(3) 0.0246(15) Uani 1 1 d .
C130 C 0.2398(3) 0.6052(7) 0.3688(3) 0.0297(17) Uani 1 1 d .
H13A H 0.2355 0.5354 0.3422 0.045 Uiso 1 1 calc R
H13B H 0.2659 0.5853 0.4099 0.045 Uiso 1 1 calc R
H13C H 0.2636 0.6672 0.3504 0.045 Uiso 1 1 calc R
C131 C 0.1305(4) 0.6813(7) 0.3107(3) 0.0339(19) Uani 1 1 d .
H13D H 0.1519 0.7501 0.2956 0.051 Uiso 1 1 calc R
H13E H 0.0832 0.7000 0.3134 0.051 Uiso 1 1 calc R
H13F H 0.1311 0.6156 0.2821 0.051 Uiso 1 1 calc R
C132 C 0.1323(4) 0.5462(7) 0.3997(3) 0.0370(19) Uani 1 1 d .
H13G H 0.1227 0.4844 0.3682 0.055 Uiso 1 1 calc R
H13H H 0.0893 0.5750 0.4096 0.055 Uiso 1 1 calc R
H13I H 0.1609 0.5143 0.4373 0.055 Uiso 1 1 calc R
C133 C 0.1549(3) 0.6847(6) 0.5258(3) 0.0239(16) Uani 1 1 d .
H13J H 0.1564 0.5987 0.5265 0.036 Uiso 1 1 calc R
H13K H 0.1078 0.7109 0.5113 0.036 Uiso 1 1 calc R
H13L H 0.1716 0.7150 0.5677 0.036 Uiso 1 1 calc R
P11 P 0.42433(7) 0.78118(14) 0.67738(6) 0.0125(3) Uani 1 1 d .
C141 C 0.5093(3) 0.7815(6) 0.6531(3) 0.0181(13) Uani 1 1 d .
H141 H 0.5090 0.7115 0.6255 0.022 Uiso 1 1 calc R
C142 C 0.5181(3) 0.8890(6) 0.6123(3) 0.0283(16) Uani 1 1 d .
H14A H 0.4778 0.8958 0.5784 0.034 Uiso 1 1 calc R
H14B H 0.5208 0.9613 0.6377 0.034 Uiso 1 1 calc R
C143 C 0.5822(3) 0.8777(8) 0.5849(3) 0.0375(18) Uani 1 1 d .
H14C H 0.5881 0.9495 0.5610 0.045 Uiso 1 1 calc R
H14D H 0.5775 0.8101 0.5561 0.045 Uiso 1 1 calc R
C144 C 0.6448(3) 0.8603(8) 0.6357(3) 0.041(2) Uani 1 1 d .
H14E H 0.6856 0.8499 0.6166 0.050 Uiso 1 1 calc R
H14F H 0.6519 0.9312 0.6622 0.050 Uiso 1 1 calc R
C145 C 0.6368(3) 0.7542(8) 0.6754(3) 0.0316(17) Uani 1 1 d .
H14G H 0.6776 0.7462 0.7086 0.038 Uiso 1 1 calc R
H14H H 0.6329 0.6824 0.6496 0.038 Uiso 1 1 calc R
C146 C 0.5729(3) 0.7673(7) 0.7044(3) 0.0248(14) Uani 1 1 d .
H14I H 0.5778 0.8368 0.7319 0.030 Uiso 1 1 calc R
H14J H 0.5677 0.6971 0.7297 0.030 Uiso 1 1 calc R
C151 C 0.4163(3) 0.9093(5) 0.7276(3) 0.0145(14) Uani 1 1 d .
H151 H 0.3723 0.8964 0.7420 0.017 Uiso 1 1 calc R
C152 C 0.4695(3) 0.9234(6) 0.7873(3) 0.0215(15) Uani 1 1 d .
H15A H 0.4773 0.8467 0.8086 0.026 Uiso 1 1 calc R
H15B H 0.5133 0.9498 0.7769 0.026 Uiso 1 1 calc R
C153 C 0.4454(4) 1.0123(6) 0.8302(3) 0.0300(17) Uani 1 1 d .
H15C H 0.4808 1.0213 0.8682 0.036 Uiso 1 1 calc R
H15D H 0.4032 0.9832 0.8427 0.036 Uiso 1 1 calc R
C154 C 0.4314(4) 1.1319(6) 0.7984(3) 0.0296(16) Uani 1 1 d .
H15E H 0.4113 1.1853 0.8257 0.036 Uiso 1 1 calc R
H15F H 0.4751 1.1666 0.7920 0.036 Uiso 1 1 calc R
C155 C 0.3832(3) 1.1215(6) 0.7366(3) 0.0213(14) Uani 1 1 d .
H15G H 0.3793 1.1988 0.7156 0.026 Uiso 1 1 calc R
H15H H 0.3373 1.0990 0.7436 0.026 Uiso 1 1 calc R
C156 C 0.4076(3) 1.0308(6) 0.6946(3) 0.0197(14) Uani 1 1 d .
H15I H 0.4518 1.0561 0.6846 0.024 Uiso 1 1 calc R
H15J H 0.3741 1.0243 0.6554 0.024 Uiso 1 1 calc R
C161 C 0.4337(3) 0.6605(6) 0.7358(3) 0.0155(13) Uani 1 1 d .
H161 H 0.4768 0.6766 0.7661 0.019 Uiso 1 1 calc R
C162 C 0.3768(3) 0.6556(6) 0.7733(3) 0.0183(13) Uani 1 1 d .
H16A H 0.3328 0.6405 0.7450 0.022 Uiso 1 1 calc R
H16B H 0.3734 0.7325 0.7935 0.022 Uiso 1 1 calc R
C163 C 0.3893(4) 0.5598(6) 0.8227(3) 0.0276(16) Uani 1 1 d .
H16C H 0.4305 0.5793 0.8538 0.033 Uiso 1 1 calc R
H16D H 0.3500 0.5557 0.8442 0.033 Uiso 1 1 calc R
C164 C 0.3991(4) 0.4414(6) 0.7934(3) 0.0319(18) Uani 1 1 d .
H16E H 0.4105 0.3816 0.8264 0.038 Uiso 1 1 calc R
H16F H 0.3557 0.4177 0.7663 0.038 Uiso 1 1 calc R
C165 C 0.4553(3) 0.4451(6) 0.7554(3) 0.0264(16) Uani 1 1 d .
H16G H 0.4996 0.4595 0.7834 0.032 Uiso 1 1 calc R
H16H H 0.4580 0.3680 0.7352 0.032 Uiso 1 1 calc R
C166 C 0.4432(3) 0.5399(6) 0.7064(3) 0.0202(14) Uani 1 1 d .
H16I H 0.4019 0.5206 0.6753 0.024 Uiso 1 1 calc R
H16J H 0.4825 0.5434 0.6848 0.024 Uiso 1 1 calc R
Ru2 Ru 0.19717(2) 0.87309(4) 0.947893(17) 0.01259(11) Uani 1 1 d .
Cl21 Cl 0.28719(7) 0.73679(13) 0.93698(7) 0.0210(3) Uani 1 1 d .
Cl22 Cl 0.09819(7) 0.98423(14) 0.95535(6) 0.0173(3) Uani 1 1 d .
C21 C 0.2563(3) 0.9968(7) 0.9437(2) 0.0260(17) Uani 1 1 d .
H21 H 0.3025 0.9718 0.9539 0.031 Uiso 1 1 calc R
C22 C 0.2521(3) 1.1220(6) 0.9291(3) 0.0198(14) Uani 1 1 d .
C23 C 0.1918(4) 1.1799(7) 0.9054(3) 0.0297(17) Uani 1 1 d .
H23 H 0.1500 1.1379 0.8968 0.036 Uiso 1 1 calc R
C24 C 0.1932(4) 1.3002(7) 0.8943(4) 0.038(2) Uani 1 1 d .
H24 H 0.1518 1.3399 0.8779 0.046 Uiso 1 1 calc R
C25 C 0.2540(4) 1.3629(7) 0.9068(3) 0.043(2) Uani 1 1 d .
H25 H 0.2541 1.4451 0.8994 0.052 Uiso 1 1 calc R
C26 C 0.3144(4) 1.3055(7) 0.9299(3) 0.0355(19) Uani 1 1 d .
H26 H 0.3563 1.3474 0.9385 0.043 Uiso 1 1 calc R
C27 C 0.3130(4) 1.1867(7) 0.9403(3) 0.0307(17) Uani 1 1 d .
H27 H 0.3546 1.1470 0.9557 0.037 Uiso 1 1 calc R
C211 C 0.1596(3) 0.8595(6) 0.8536(2) 0.0132(13) Uani 1 1 d .
N212 N 0.1009(2) 0.8001(5) 0.8331(2) 0.0172(12) Uani 1 1 d .
C213 C 0.0884(3) 0.7877(6) 0.7639(2) 0.0173(15) Uani 1 1 d .
H213 H 0.0396 0.8073 0.7468 0.021 Uiso 1 1 calc R
C214 C 0.1341(3) 0.8861(6) 0.7468(2) 0.0154(13) Uani 1 1 d .
H214 H 0.1607 0.8535 0.7163 0.018 Uiso 1 1 calc R
N215 N 0.1822(2) 0.9059(4) 0.8058(2) 0.0142(11) Uani 1 1 d .
C216 C 0.0704(3) 0.7274(5) 0.8744(2) 0.0136(13) Uani 1 1 d .
C217 C 0.0015(3) 0.7410(6) 0.8784(3) 0.0253(16) Uani 1 1 d .
C218 C -0.0219(3) 0.6592(7) 0.9182(3) 0.0270(17) Uani 1 1 d .
H218 H -0.0685 0.6627 0.9220 0.032 Uiso 1 1 calc R
C219 C 0.0181(4) 0.5756(6) 0.9514(3) 0.0271(17) Uani 1 1 d .
H219 H -0.0007 0.5231 0.9773 0.032 Uiso 1 1 calc R
C220 C 0.0861(4) 0.5675(6) 0.9472(3) 0.0262(17) Uani 1 1 d .
H220 H 0.1149 0.5103 0.9703 0.031 Uiso 1 1 calc R
C221 C 0.1111(3) 0.6440(6) 0.9089(3) 0.0179(14) Uani 1 1 d .
H221 H 0.1580 0.6396 0.9060 0.021 Uiso 1 1 calc R
C222 C -0.0441(3) 0.8310(7) 0.8450(3) 0.0309(18) Uani 1 1 d .
H222 H -0.0151 0.8863 0.8258 0.037 Uiso 1 1 calc R
C223 C -0.0974(4) 0.7781(8) 0.7920(3) 0.042(2) Uani 1 1 d .
H22A H -0.0739 0.7378 0.7626 0.064 Uiso 1 1 calc R
H22B H -0.1260 0.8410 0.7705 0.064 Uiso 1 1 calc R
H22C H -0.1261 0.7219 0.8092 0.064 Uiso 1 1 calc R
C224 C -0.0811(4) 0.9032(7) 0.8867(3) 0.042(2) Uani 1 1 d .
H22D H -0.1116 0.8520 0.9050 0.063 Uiso 1 1 calc R
H22E H -0.1080 0.9647 0.8622 0.063 Uiso 1 1 calc R
H22F H -0.0477 0.9393 0.9198 0.063 Uiso 1 1 calc R
C225 C 0.1045(4) 0.6640(6) 0.7406(3) 0.0265(16) Uani 1 1 d .
C226 C 0.1786(3) 0.6289(6) 0.7645(3) 0.0270(16) Uani 1 1 d .
H22G H 0.2090 0.6838 0.7486 0.041 Uiso 1 1 calc R
H22H H 0.1863 0.5493 0.7504 0.041 Uiso 1 1 calc R
H22I H 0.1881 0.6310 0.8099 0.041 Uiso 1 1 calc R
C227 C 0.0908(4) 0.6681(7) 0.6687(3) 0.0353(18) Uani 1 1 d .
H22J H 0.0426 0.6863 0.6532 0.053 Uiso 1 1 calc R
H22K H 0.1018 0.5917 0.6526 0.053 Uiso 1 1 calc R
H22L H 0.1195 0.7288 0.6550 0.053 Uiso 1 1 calc R
C228 C 0.0565(4) 0.5686(6) 0.7580(3) 0.0282(17) Uani 1 1 d .
H22M H 0.0671 0.5552 0.8029 0.042 Uiso 1 1 calc R
H22N H 0.0630 0.4955 0.7363 0.042 Uiso 1 1 calc R
H22O H 0.0090 0.5945 0.7460 0.042 Uiso 1 1 calc R
C229 C 0.0991(3) 0.9998(6) 0.7192(3) 0.0244(16) Uani 1 1 d .
C230 C 0.1521(4) 1.0942(6) 0.7144(3) 0.0285(17) Uani 1 1 d .
H23A H 0.1298 1.1609 0.6907 0.043 Uiso 1 1 calc R
H23B H 0.1872 1.0619 0.6934 0.043 Uiso 1 1 calc R
H23C H 0.1732 1.1204 0.7561 0.043 Uiso 1 1 calc R
C231 C 0.0495(4) 1.0494(7) 0.7584(3) 0.0306(17) Uani 1 1 d .
H23D H 0.0335 1.1269 0.7425 0.046 Uiso 1 1 calc R
H23E H 0.0730 1.0566 0.8016 0.046 Uiso 1 1 calc R
H23F H 0.0104 0.9964 0.7560 0.046 Uiso 1 1 calc R
C232 C 0.0608(3) 0.9726(7) 0.6536(3) 0.0302(17) Uani 1 1 d .
H23G H 0.0253 0.9140 0.6555 0.045 Uiso 1 1 calc R
H23H H 0.0929 0.9419 0.6287 0.045 Uiso 1 1 calc R
H23I H 0.0396 1.0446 0.6344 0.045 Uiso 1 1 calc R
C233 C 0.2532(3) 0.9407(6) 0.8080(3) 0.0163(13) Uani 1 1 d .
H23J H 0.2588 1.0237 0.8196 0.024 Uiso 1 1 calc R
H23K H 0.2651 0.9291 0.7671 0.024 Uiso 1 1 calc R
H23L H 0.2832 0.8928 0.8387 0.024 Uiso 1 1 calc R
P21 P 0.21905(8) 0.85469(14) 1.06247(6) 0.0157(3) Uani 1 1 d .
C241 C 0.2674(3) 0.9780(6) 1.1066(3) 0.0217(15) Uani 1 1 d .
H241 H 0.2699 0.9598 1.1515 0.026 Uiso 1 1 calc R
C242 C 0.2299(3) 1.0950(6) 1.0948(3) 0.0241(15) Uani 1 1 d .
H24A H 0.2262 1.1176 1.0508 0.029 Uiso 1 1 calc R
H24B H 0.1831 1.0870 1.1035 0.029 Uiso 1 1 calc R
C243 C 0.2681(4) 1.1891(7) 1.1360(3) 0.0337(18) Uani 1 1 d .
H24C H 0.2681 1.1697 1.1800 0.040 Uiso 1 1 calc R
H24D H 0.2446 1.2653 1.1267 0.040 Uiso 1 1 calc R
C244 C 0.3423(4) 1.1996(6) 1.1261(4) 0.0365(19) Uani 1 1 d .
H24E H 0.3425 1.2253 1.0831 0.044 Uiso 1 1 calc R
H24F H 0.3666 1.2597 1.1546 0.044 Uiso 1 1 calc R
C245 C 0.3790(4) 1.0834(7) 1.1380(3) 0.0354(18) Uani 1 1 d .
H24G H 0.3830 1.0619 1.1822 0.042 Uiso 1 1 calc R
H24H H 0.4257 1.0909 1.1291 0.042 Uiso 1 1 calc R
C246 C 0.3402(3) 0.9852(6) 1.0968(3) 0.0267(16) Uani 1 1 d .
H24I H 0.3407 1.0020 1.0527 0.032 Uiso 1 1 calc R
H24J H 0.3633 0.9090 1.1075 0.032 Uiso 1 1 calc R
C251 C 0.1379(3) 0.8512(5) 1.0931(2) 0.0179(14) Uani 1 1 d .
H251 H 0.1135 0.9250 1.0771 0.021 Uiso 1 1 calc R
C252 C 0.0907(3) 0.7538(6) 1.0655(3) 0.0279(15) Uani 1 1 d .
H25A H 0.1116 0.6775 1.0800 0.033 Uiso 1 1 calc R
H25B H 0.0858 0.7561 1.0198 0.033 Uiso 1 1 calc R
C253 C 0.0203(3) 0.7612(7) 1.0821(3) 0.0319(16) Uani 1 1 d .
H25C H -0.0062 0.6903 1.0668 0.038 Uiso 1 1 calc R
H25D H -0.0041 0.8304 1.0615 0.038 Uiso 1 1 calc R
C254 C 0.0250(3) 0.7713(7) 1.1518(3) 0.0335(16) Uani 1 1 d .
H25E H -0.0213 0.7843 1.1609 0.040 Uiso 1 1 calc R
H25F H 0.0428 0.6969 1.1719 0.040 Uiso 1 1 calc R
C255 C 0.0709(4) 0.8710(8) 1.1784(3) 0.0339(17) Uani 1 1 d .
H25G H 0.0737 0.8738 1.2238 0.041 Uiso 1 1 calc R
H25H H 0.0510 0.9460 1.1608 0.041 Uiso 1 1 calc R
C256 C 0.1437(3) 0.8578(7) 1.1643(3) 0.0283(16) Uani 1 1 d .
H25I H 0.1653 0.7856 1.1839 0.034 Uiso 1 1 calc R
H25J H 0.1721 0.9259 1.1811 0.034 Uiso 1 1 calc R
C261 C 0.2736(4) 0.7274(6) 1.0903(3) 0.0248(16) Uani 1 1 d .
H261 H 0.3150 0.7376 1.0712 0.030 Uiso 1 1 calc R
C262 C 0.3022(4) 0.7178(7) 1.1610(3) 0.037(2) Uani 1 1 d .
H26A H 0.3203 0.7950 1.1770 0.045 Uiso 1 1 calc R
H26B H 0.2649 0.6958 1.1828 0.045 Uiso 1 1 calc R
C263 C 0.3579(4) 0.6278(7) 1.1740(4) 0.048(2) Uani 1 1 d .
H26C H 0.3736 0.6206 1.2193 0.058 Uiso 1 1 calc R
H26D H 0.3972 0.6539 1.1557 0.058 Uiso 1 1 calc R
C264 C 0.3336(5) 0.5078(8) 1.1471(4) 0.056(3) Uani 1 1 d .
H26E H 0.3728 0.4529 1.1529 0.068 Uiso 1 1 calc R
H26F H 0.2993 0.4761 1.1700 0.068 Uiso 1 1 calc R
C265 C 0.3025(4) 0.5155(6) 1.0790(3) 0.0359(18) Uani 1 1 d .
H26G H 0.2838 0.4379 1.0642 0.043 Uiso 1 1 calc R
H26H H 0.3384 0.5368 1.0553 0.043 Uiso 1 1 calc R
C266 C 0.2454(3) 0.6075(6) 1.0677(3) 0.0243(15) Uani 1 1 d .
H26I H 0.2257 0.6114 1.0228 0.029 Uiso 1 1 calc R
H26J H 0.2086 0.5847 1.0900 0.029 Uiso 1 1 calc R
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 '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 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.2960 '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_publ_flag
C11 RU1 C111 96.7(3) y
C11 RU1 CL11 97.82(19) y
C111 RU1 CL11 87.82(16) y
C11 RU1 CL12 89.0(2) y
C111 RU1 CL12 90.26(16) y
CL11 RU1 CL12 173.06(6) y
C11 RU1 P11 96.41(18) y
C111 RU1 P11 166.77(18) y
CL11 RU1 P11 88.69(5) y
CL12 RU1 P11 91.69(5) y
C12 C11 RU1 136.4(4) y
C12 C11 H11 111.8 ?
RU1 C11 H11 111.8 ?
C13 C12 C17 118.2(6) y
C13 C12 C11 125.3(6) y
C17 C12 C11 116.5(5) y
C12 C13 C14 120.5(7) y
C12 C13 H13 119.8 ?
C14 C13 H13 119.8 ?
C15 C14 C13 120.5(7) y
C15 C14 H14 119.8 ?
C13 C14 H14 119.8 ?
C14 C15 C16 120.4(8) y
C14 C15 H15 119.8 ?
C16 C15 H15 119.8 ?
C15 C16 C17 119.9(7) y
C15 C16 H16 120.1 ?
C17 C16 H16 120.1 ?
C16 C17 C12 120.5(7) y
C16 C17 H17 119.8 ?
C12 C17 H17 119.8 ?
N115 C111 N112 110.0(5) y
N115 C111 RU1 130.9(4) y
N112 C111 RU1 119.1(4) y
C111 N112 C116 121.4(4) y
C111 N112 C113 110.3(4) y
C116 N112 C113 125.4(5) y
N112 C113 C114 101.2(5) y
N112 C113 C125 113.6(5) y
C114 C113 C125 114.5(5) y
N112 C113 H113 109.1 ?
C114 C113 H113 109.1 ?
C125 C113 H113 109.1 ?
N115 C114 C113 102.5(5) y
N115 C114 C129 113.0(6) y
C113 C114 C129 116.7(5) y
N115 C114 H114 108.1 ?
C113 C114 H114 108.1 ?
C129 C114 H114 108.1 ?
C111 N115 C133 123.8(5) y
C111 N115 C114 111.0(5) y
C133 N115 C114 122.9(5) y
C121 C116 C117 120.5(6) y
C121 C116 N112 117.6(5) y
C117 C116 N112 121.9(5) y
C118 C117 C116 116.6(6) y
C118 C117 C122 120.1(5) y
C116 C117 C122 123.3(5) y
C119 C118 C117 122.2(6) y
C119 C118 H118 118.9 ?
C117 C118 H118 118.9 ?
C118 C119 C120 121.5(6) y
C118 C119 H119 119.3 ?
C120 C119 H119 119.3 ?
C121 C120 C119 117.3(6) y
C121 C120 H120 121.4 ?
C119 C120 H120 121.4 ?
C120 C121 C116 121.8(6) y
C120 C121 H121 119.1 ?
C116 C121 H121 119.1 ?
C117 C122 C123 113.1(6) y
C117 C122 C124 111.7(6) y
C123 C122 C124 108.5(5) y
C117 C122 H122 107.8 ?
C123 C122 H122 107.8 ?
C124 C122 H122 107.8 ?
C122 C123 H12A 109.5 ?
C122 C123 H12B 109.5 ?
H12A C123 H12B 109.5 ?
C122 C123 H12C 109.5 ?
H12A C123 H12C 109.5 ?
H12B C123 H12C 109.5 ?
C122 C124 H12D 109.5 ?
C122 C124 H12E 109.5 ?
H12D C124 H12E 109.5 ?
C122 C124 H12F 109.5 ?
H12D C124 H12F 109.5 ?
H12E C124 H12F 109.5 ?
C126 C125 C127 110.2(6) y
C126 C125 C113 111.9(6) y
C127 C125 C113 113.1(6) y
C126 C125 C128 109.0(6) y
C127 C125 C128 104.9(6) y
C113 C125 C128 107.5(6) y
C125 C126 H12G 109.5 ?
C125 C126 H12H 109.5 ?
H12G C126 H12H 109.5 ?
C125 C126 H12I 109.5 ?
H12G C126 H12I 109.5 ?
H12H C126 H12I 109.5 ?
C125 C127 H12J 109.5 ?
C125 C127 H12K 109.5 ?
H12J C127 H12K 109.5 ?
C125 C127 H12L 109.5 ?
H12J C127 H12L 109.5 ?
H12K C127 H12L 109.5 ?
C125 C128 H12M 109.5 ?
C125 C128 H12N 109.5 ?
H12M C128 H12N 109.5 ?
C125 C128 H12O 109.5 ?
H12M C128 H12O 109.5 ?
H12N C128 H12O 109.5 ?
C130 C129 C131 108.9(6) y
C130 C129 C132 108.2(6) y
C131 C129 C132 108.5(6) y
C130 C129 C114 113.7(5) y
C131 C129 C114 108.2(6) y
C132 C129 C114 109.1(5) y
C129 C130 H13A 109.5 ?
C129 C130 H13B 109.5 ?
H13A C130 H13B 109.5 ?
C129 C130 H13C 109.5 ?
H13A C130 H13C 109.5 ?
H13B C130 H13C 109.5 ?
C129 C131 H13D 109.5 ?
C129 C131 H13E 109.5 ?
H13D C131 H13E 109.5 ?
C129 C131 H13F 109.5 ?
H13D C131 H13F 109.5 ?
H13E C131 H13F 109.5 ?
C129 C132 H13G 109.5 ?
C129 C132 H13H 109.5 ?
H13G C132 H13H 109.5 ?
C129 C132 H13I 109.5 ?
H13G C132 H13I 109.5 ?
H13H C132 H13I 109.5 ?
N115 C133 H13J 109.5 ?
N115 C133 H13K 109.5 ?
H13J C133 H13K 109.5 ?
N115 C133 H13L 109.5 ?
H13J C133 H13L 109.5 ?
H13K C133 H13L 109.5 ?
C151 P11 C161 100.4(3) y
C151 P11 C141 110.6(3) y
C161 P11 C141 102.6(3) y
C151 P11 RU1 113.55(19) y
C161 P11 RU1 116.3(2) y
C141 P11 RU1 112.29(18) y
C146 C141 C142 109.9(5) y
C146 C141 P11 117.2(4) y
C142 C141 P11 111.9(4) y
C146 C141 H141 105.6 ?
C142 C141 H141 105.6 ?
P11 C141 H141 105.6 ?
C143 C142 C141 110.9(6) y
C143 C142 H14A 109.5 ?
C141 C142 H14A 109.5 ?
C143 C142 H14B 109.5 ?
C141 C142 H14B 109.5 ?
H14A C142 H14B 108 ?
C142 C143 C144 110.9(5) y
C142 C143 H14C 109.5 ?
C144 C143 H14C 109.5 ?
C142 C143 H14D 109.5 ?
C144 C143 H14D 109.5 ?
H14C C143 H14D 108 ?
C145 C144 C143 111.4(6) y
C145 C144 H14E 109.3 ?
C143 C144 H14E 109.3 ?
C145 C144 H14F 109.3 ?
C143 C144 H14F 109.3 ?
H14E C144 H14F 108 ?
C144 C145 C146 110.3(6) y
C144 C145 H14G 109.6 ?
C146 C145 H14G 109.6 ?
C144 C145 H14H 109.6 ?
C146 C145 H14H 109.6 ?
H14G C145 H14H 108.1 ?
C145 C146 C141 109.9(5) y
C145 C146 H14I 109.7 ?
C141 C146 H14I 109.7 ?
C145 C146 H14J 109.7 ?
C141 C146 H14J 109.7 ?
H14I C146 H14J 108.2 ?
C152 C151 C156 107.7(5) y
C152 C151 P11 117.9(4) y
C156 C151 P11 116.0(4) y
C152 C151 H151 104.6 ?
C156 C151 H151 104.6 ?
P11 C151 H151 104.6 ?
C153 C152 C151 110.6(5) y
C153 C152 H15A 109.5 ?
C151 C152 H15A 109.5 ?
C153 C152 H15B 109.5 ?
C151 C152 H15B 109.5 ?
H15A C152 H15B 108.1 ?
C152 C153 C154 111.2(5) y
C152 C153 H15C 109.4 ?
C154 C153 H15C 109.4 ?
C152 C153 H15D 109.4 ?
C154 C153 H15D 109.4 ?
H15C C153 H15D 108 ?
C155 C154 C153 111.7(6) y
C155 C154 H15E 109.3 ?
C153 C154 H15E 109.3 ?
C155 C154 H15F 109.3 ?
C153 C154 H15F 109.3 ?
H15E C154 H15F 107.9 ?
C154 C155 C156 112.0(5) y
C154 C155 H15G 109.2 ?
C156 C155 H15G 109.2 ?
C154 C155 H15H 109.2 ?
C156 C155 H15H 109.2 ?
H15G C155 H15H 107.9 ?
C155 C156 C151 110.0(5) y
C155 C156 H15I 109.7 ?
C151 C156 H15I 109.7 ?
C155 C156 H15J 109.7 ?
C151 C156 H15J 109.7 ?
H15I C156 H15J 108.2 ?
C162 C161 C166 110.8(5) y
C162 C161 P11 114.2(4) y
C166 C161 P11 111.8(4) y
C162 C161 H161 106.5 ?
C166 C161 H161 106.5 ?
P11 C161 H161 106.5 ?
C161 C162 C163 111.8(5) y
C161 C162 H16A 109.3 ?
C163 C162 H16A 109.3 ?
C161 C162 H16B 109.3 ?
C163 C162 H16B 109.3 ?
H16A C162 H16B 107.9 ?
C164 C163 C162 110.5(5) y
C164 C163 H16C 109.6 ?
C162 C163 H16C 109.6 ?
C164 C163 H16D 109.6 ?
C162 C163 H16D 109.6 ?
H16C C163 H16D 108.1 ?
C165 C164 C163 111.9(6) y
C165 C164 H16E 109.2 ?
C163 C164 H16E 109.2 ?
C165 C164 H16F 109.2 ?
C163 C164 H16F 109.2 ?
H16E C164 H16F 107.9 ?
C166 C165 C164 112.0(6) y
C166 C165 H16G 109.2 ?
C164 C165 H16G 109.2 ?
C166 C165 H16H 109.2 ?
C164 C165 H16H 109.2 ?
H16G C165 H16H 107.9 ?
C165 C166 C161 110.7(5) y
C165 C166 H16I 109.5 ?
C161 C166 H16I 109.5 ?
C165 C166 H16J 109.5 ?
C161 C166 H16J 109.5 ?
H16I C166 H16J 108.1 ?
C21 RU2 C211 96.9(2) y
C21 RU2 CL22 98.2(2) y
C211 RU2 CL22 87.67(16) y
C21 RU2 CL21 89.6(2) y
C211 RU2 CL21 89.36(17) y
CL22 RU2 CL21 171.96(6) y
C21 RU2 P21 97.06(17) y
C211 RU2 P21 165.81(17) y
CL22 RU2 P21 88.02(5) y
CL21 RU2 P21 93.08(5) y
C22 C21 RU2 138.1(5) y
C22 C21 H21 111 ?
RU2 C21 H21 111 ?
C23 C22 C27 118.6(7) y
C23 C22 C21 123.9(6) y
C27 C22 C21 117.5(6) y
C22 C23 C24 119.4(7) y
C22 C23 H23 120.3 ?
C24 C23 H23 120.3 ?
C25 C24 C23 121.0(8) y
C25 C24 H24 119.5 ?
C23 C24 H24 119.5 ?
C26 C25 C24 119.8(8) y
C26 C25 H25 120.1 ?
C24 C25 H25 120.1 ?
C27 C26 C25 119.0(8) y
C27 C26 H26 120.5 ?
C25 C26 H26 120.5 ?
C26 C27 C22 122.1(7) y
C26 C27 H27 118.9 ?
C22 C27 H27 118.9 ?
N215 C211 N212 109.6(4) y
N215 C211 RU2 130.4(4) y
N212 C211 RU2 119.9(4) y
C211 N212 C216 121.1(4) y
C211 N212 C213 110.6(4) y
C216 N212 C213 125.0(5) y
N212 C213 C214 100.7(4) y
N212 C213 C225 114.4(5) y
C214 C213 C225 114.4(5) y
N212 C213 H213 109 ?
C214 C213 H213 109 ?
C225 C213 H213 109 ?
N215 C214 C213 102.4(4) y
N215 C214 C229 112.8(5) y
C213 C214 C229 117.6(5) y
N215 C214 H214 107.8 ?
C213 C214 H214 107.8 ?
C229 C214 H214 107.8 ?
C211 N215 C233 123.6(5) y
C211 N215 C214 111.9(5) y
C233 N215 C214 122.3(4) y
C221 C216 C217 121.6(6) y
C221 C216 N212 117.8(5) y
C217 C216 N212 120.7(6) y
C216 C217 C218 114.0(6) y
C216 C217 C222 124.5(6) y
C218 C217 C222 121.5(6) y
C219 C218 C217 124.3(6) y
C219 C218 H218 117.9 ?
C217 C218 H218 117.9 ?
C218 C219 C220 119.7(6) y
C218 C219 H219 120.2 ?
C220 C219 H219 120.2 ?
C221 C220 C219 118.4(7) y
C221 C220 H220 120.8 ?
C219 C220 H220 120.8 ?
C220 C221 C216 122.1(6) y
C220 C221 H221 119 ?
C216 C221 H221 119 ?
C217 C222 C224 113.6(6) y
C217 C222 C223 112.2(6) y
C224 C222 C223 108.8(5) y
C217 C222 H222 107.3 ?
C224 C222 H222 107.3 ?
C223 C222 H222 107.3 ?
C222 C223 H22A 109.5 ?
C222 C223 H22B 109.5 ?
H22A C223 H22B 109.5 ?
C222 C223 H22C 109.5 ?
H22A C223 H22C 109.5 ?
H22B C223 H22C 109.5 ?
C222 C224 H22D 109.5 ?
C222 C224 H22E 109.5 ?
H22D C224 H22E 109.5 ?
C222 C224 H22F 109.5 ?
H22D C224 H22F 109.5 ?
H22E C224 H22F 109.5 ?
C226 C225 C228 109.6(6) y
C226 C225 C227 109.3(5) y
C228 C225 C227 106.0(6) y
C226 C225 C213 111.8(6) y
C228 C225 C213 112.5(5) y
C227 C225 C213 107.5(6) y
C225 C226 H22G 109.5 ?
C225 C226 H22H 109.5 ?
H22G C226 H22H 109.5 ?
C225 C226 H22I 109.5 ?
H22G C226 H22I 109.5 ?
H22H C226 H22I 109.5 ?
C225 C227 H22J 109.5 ?
C225 C227 H22K 109.5 ?
H22J C227 H22K 109.5 ?
C225 C227 H22L 109.5 ?
H22J C227 H22L 109.5 ?
H22K C227 H22L 109.5 ?
C225 C228 H22M 109.5 ?
C225 C228 H22N 109.5 ?
H22M C228 H22N 109.5 ?
C225 C228 H22O 109.5 ?
H22M C228 H22O 109.5 ?
H22N C228 H22O 109.5 ?
C230 C229 C232 107.9(5) y
C230 C229 C231 107.8(6) y
C232 C229 C231 110.0(5) y
C230 C229 C214 110.6(5) y
C232 C229 C214 108.0(6) y
C231 C229 C214 112.4(5) y
C229 C230 H23A 109.5 ?
C229 C230 H23B 109.5 ?
H23A C230 H23B 109.5 ?
C229 C230 H23C 109.5 ?
H23A C230 H23C 109.5 ?
H23B C230 H23C 109.5 ?
C229 C231 H23D 109.5 ?
C229 C231 H23E 109.5 ?
H23D C231 H23E 109.5 ?
C229 C231 H23F 109.5 ?
H23D C231 H23F 109.5 ?
H23E C231 H23F 109.5 ?
C229 C232 H23G 109.5 ?
C229 C232 H23H 109.5 ?
H23G C232 H23H 109.5 ?
C229 C232 H23I 109.5 ?
H23G C232 H23I 109.5 ?
H23H C232 H23I 109.5 ?
N215 C233 H23J 109.5 ?
N215 C233 H23K 109.5 ?
H23J C233 H23K 109.5 ?
N215 C233 H23L 109.5 ?
H23J C233 H23L 109.5 ?
H23K C233 H23L 109.5 ?
C261 P21 C251 111.2(3) y
C261 P21 C241 101.8(3) y
C251 P21 C241 103.1(3) y
C261 P21 RU2 112.5(2) y
C251 P21 RU2 111.59(18) y
C241 P21 RU2 115.96(19) y
C246 C241 C242 112.5(6) y
C246 C241 P21 112.6(5) y
C242 C241 P21 112.3(4) y
C246 C241 H241 106.3 ?
C242 C241 H241 106.3 ?
P21 C241 H241 106.3 ?
C243 C242 C241 109.9(5) y
C243 C242 H24A 109.7 ?
C241 C242 H24A 109.7 ?
C243 C242 H24B 109.7 ?
C241 C242 H24B 109.7 ?
H24A C242 H24B 108.2 ?
C242 C243 C244 111.1(6) y
C242 C243 H24C 109.4 ?
C244 C243 H24C 109.4 ?
C242 C243 H24D 109.4 ?
C244 C243 H24D 109.4 ?
H24C C243 H24D 108 ?
C245 C244 C243 110.7(6) y
C245 C244 H24E 109.5 ?
C243 C244 H24E 109.5 ?
C245 C244 H24F 109.5 ?
C243 C244 H24F 109.5 ?
H24E C244 H24F 108.1 ?
C244 C245 C246 111.1(6) y
C244 C245 H24G 109.4 ?
C246 C245 H24G 109.4 ?
C244 C245 H24H 109.4 ?
C246 C245 H24H 109.4 ?
H24G C245 H24H 108 ?
C241 C246 C245 110.1(6) y
C241 C246 H24I 109.6 ?
C245 C246 H24I 109.6 ?
C241 C246 H24J 109.6 ?
C245 C246 H24J 109.6 ?
H24I C246 H24J 108.1 ?
C252 C251 C256 111.4(5) y
C252 C251 P21 112.9(4) y
C256 C251 P21 117.2(4) y
C252 C251 H251 104.6 ?
C256 C251 H251 104.6 ?
P21 C251 H251 104.6 ?
C251 C252 C253 113.4(5) y
C251 C252 H25A 108.9 ?
C253 C252 H25A 108.9 ?
C251 C252 H25B 108.9 ?
C253 C252 H25B 108.9 ?
H25A C252 H25B 107.7 ?
C252 C253 C254 111.3(6) y
C252 C253 H25C 109.4 ?
C254 C253 H25C 109.4 ?
C252 C253 H25D 109.4 ?
C254 C253 H25D 109.4 ?
H25C C253 H25D 108 ?
C255 C254 C253 111.3(6) y
C255 C254 H25E 109.4 ?
C253 C254 H25E 109.4 ?
C255 C254 H25F 109.4 ?
C253 C254 H25F 109.4 ?
H25E C254 H25F 108 ?
C254 C255 C256 112.1(6) y
C254 C255 H25G 109.2 ?
C256 C255 H25G 109.2 ?
C254 C255 H25H 109.2 ?
C256 C255 H25H 109.2 ?
H25G C255 H25H 107.9 ?
C255 C256 C251 108.2(5) y
C255 C256 H25I 110.1 ?
C251 C256 H25I 110.1 ?
C255 C256 H25J 110.1 ?
C251 C256 H25J 110.1 ?
H25I C256 H25J 108.4 ?
C266 C261 C262 107.8(5) y
C266 C261 P21 116.0(5) y
C262 C261 P21 118.0(5) y
C266 C261 H261 104.5 ?
C262 C261 H261 104.5 ?
P21 C261 H261 104.5 ?
C263 C262 C261 111.0(6) y
C263 C262 H26A 109.4 ?
C261 C262 H26A 109.4 ?
C263 C262 H26B 109.4 ?
C261 C262 H26B 109.4 ?
H26A C262 H26B 108 ?
C262 C263 C264 111.6(7) y
C262 C263 H26C 109.3 ?
C264 C263 H26C 109.3 ?
C262 C263 H26D 109.3 ?
C264 C263 H26D 109.3 ?
H26C C263 H26D 108 ?
C265 C264 C263 111.8(7) y
C265 C264 H26E 109.3 ?
C263 C264 H26E 109.3 ?
C265 C264 H26F 109.3 ?
C263 C264 H26F 109.3 ?
H26E C264 H26F 107.9 ?
C264 C265 C266 110.7(6) y
C264 C265 H26G 109.5 ?
C266 C265 H26G 109.5 ?
C264 C265 H26H 109.5 ?
C266 C265 H26H 109.5 ?
H26G C265 H26H 108.1 ?
C261 C266 C265 110.0(6) y
C261 C266 H26I 109.7 ?
C265 C266 H26I 109.7 ?
C261 C266 H26J 109.7 ?
C265 C266 H26J 109.7 ?
H26I C266 H26J 108.2 ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_publ_flag
Ru1 C11 1.840(7) y
Ru1 C111 2.077(5) y
Ru1 Cl11 2.3622(14) y
Ru1 Cl12 2.4131(14) y
Ru1 P11 2.5047(14) y
C11 C12 1.466(9) y
C11 H11 0.95 ?
C12 C13 1.378(8) y
C12 C17 1.408(9) y
C13 C14 1.387(10) y
C13 H13 0.95 ?
C14 C15 1.366(11) y
C14 H14 0.95 ?
C15 C16 1.367(10) y
C15 H15 0.95 ?
C16 C17 1.384(9) y
C16 H16 0.95 ?
C17 H17 0.95 ?
C111 N115 1.340(7) y
C111 N112 1.344(7) y
N112 C116 1.438(7) y
N112 C113 1.498(7) y
C113 C114 1.522(9) y
C113 C125 1.552(10) y
C113 H113 1 ?
C114 N115 1.476(7) y
C114 C129 1.564(9) y
C114 H114 1 ?
N115 C133 1.445(7) y
C116 C121 1.388(8) y
C116 C117 1.403(8) y
C117 C118 1.385(9) y
C117 C122 1.502(9) y
C118 C119 1.363(9) y
C118 H118 0.95 ?
C119 C120 1.388(9) y
C119 H119 0.95 ?
C120 C121 1.373(9) y
C120 H120 0.95 ?
C121 H121 0.95 ?
C122 C123 1.510(9) y
C122 C124 1.536(9) y
C122 H122 1 ?
C123 H12a 0.98 ?
C123 H12b 0.98 ?
C123 H12c 0.98 ?
C124 H12d 0.98 ?
C124 H12e 0.98 ?
C124 H12f 0.98 ?
C125 C126 1.505(9) y
C125 C127 1.533(10) y
C125 C128 1.578(9) y
C126 H12g 0.98 ?
C126 H12h 0.98 ?
C126 H12i 0.98 ?
C127 H12j 0.98 ?
C127 H12k 0.98 ?
C127 H12l 0.98 ?
C128 H12m 0.98 ?
C128 H12n 0.98 ?
C128 H12o 0.98 ?
C129 C130 1.505(9) y
C129 C131 1.527(9) y
C129 C132 1.531(10) y
C130 H13a 0.98 ?
C130 H13b 0.98 ?
C130 H13c 0.98 ?
C131 H13d 0.98 ?
C131 H13e 0.98 ?
C131 H13f 0.98 ?
C132 H13g 0.98 ?
C132 H13h 0.98 ?
C132 H13i 0.98 ?
C133 H13j 0.98 ?
C133 H13k 0.98 ?
C133 H13l 0.98 ?
P11 C151 1.854(6) y
P11 C161 1.866(6) y
P11 C141 1.869(6) y
C141 C146 1.539(8) y
C141 C142 1.547(8) y
C141 H141 1 ?
C142 C143 1.517(8) y
C142 H14a 0.99 ?
C142 H14b 0.99 ?
C143 C144 1.522(10) y
C143 H14c 0.99 ?
C143 H14d 0.99 ?
C144 C145 1.517(11) y
C144 H14e 0.99 ?
C144 H14f 0.99 ?
C145 C146 1.534(7) y
C145 H14g 0.99 ?
C145 H14h 0.99 ?
C146 H14i 0.99 ?
C146 H14j 0.99 ?
C151 C152 1.532(8) y
C151 C156 1.556(8) y
C151 H151 1 ?
C152 C153 1.522(9) y
C152 H15a 0.99 ?
C152 H15b 0.99 ?
C153 C154 1.532(10) y
C153 H15c 0.99 ?
C153 H15d 0.99 ?
C154 C155 1.514(9) y
C154 H15e 0.99 ?
C154 H15f 0.99 ?
C155 C156 1.523(8) y
C155 H15g 0.99 ?
C155 H15h 0.99 ?
C156 H15i 0.99 ?
C156 H15j 0.99 ?
C161 C162 1.522(8) y
C161 C166 1.545(8) y
C161 H161 1 ?
C162 C163 1.526(8) y
C162 H16a 0.99 ?
C162 H16b 0.99 ?
C163 C164 1.524(10) y
C163 H16c 0.99 ?
C163 H16d 0.99 ?
C164 C165 1.519(9) y
C164 H16e 0.99 ?
C164 H16f 0.99 ?
C165 C166 1.511(9) y
C165 H16g 0.99 ?
C165 H16h 0.99 ?
C166 H16i 0.99 ?
C166 H16j 0.99 ?
Ru2 C21 1.851(8) y
Ru2 C211 2.071(5) y
Ru2 Cl22 2.3761(15) y
Ru2 Cl21 2.4191(15) y
Ru2 P21 2.4804(14) y
C21 C22 1.461(10) y
C21 H21 0.95 ?
C22 C23 1.383(9) y
C22 C27 1.402(9) y
C23 C24 1.393(10) y
C23 H23 0.95 ?
C24 C25 1.391(10) y
C24 H24 0.95 ?
C25 C26 1.380(11) y
C25 H25 0.95 ?
C26 C27 1.374(10) y
C26 H26 0.95 ?
C27 H27 0.95 ?
C211 N215 1.327(7) y
C211 N212 1.355(7) y
N212 C216 1.443(7) y
N212 C213 1.499(7) y
C213 C214 1.535(9) y
C213 C225 1.553(9) y
C213 H213 1 ?
C214 N215 1.478(6) y
C214 C229 1.540(9) y
C214 H214 1 ?
N215 C233 1.462(7) y
C216 C221 1.381(9) y
C216 C217 1.401(8) y
C217 C218 1.415(9) y
C217 C222 1.472(10) y
C218 C219 1.363(10) y
C218 H218 0.95 ?
C219 C220 1.379(9) y
C219 H219 0.95 ?
C220 C221 1.368(8) y
C220 H220 0.95 ?
C221 H221 0.95 ?
C222 C224 1.521(9) y
C222 C223 1.545(9) y
C222 H222 1 ?
C223 H22a 0.98 ?
C223 H22b 0.98 ?
C223 H22c 0.98 ?
C224 H22d 0.98 ?
C224 H22e 0.98 ?
C224 H22f 0.98 ?
C225 C226 1.526(9) y
C225 C228 1.543(9) y
C225 C227 1.551(9) y
C226 H22g 0.98 ?
C226 H22h 0.98 ?
C226 H22i 0.98 ?
C227 H22j 0.98 ?
C227 H22k 0.98 ?
C227 H22l 0.98 ?
C228 H22m 0.98 ?
C228 H22n 0.98 ?
C228 H22o 0.98 ?
C229 C230 1.524(10) y
C229 C232 1.532(9) y
C229 C231 1.535(9) y
C230 H23a 0.98 ?
C230 H23b 0.98 ?
C230 H23c 0.98 ?
C231 H23d 0.98 ?
C231 H23e 0.98 ?
C231 H23f 0.98 ?
C232 H23g 0.98 ?
C232 H23h 0.98 ?
C232 H23i 0.98 ?
C233 H23j 0.98 ?
C233 H23k 0.98 ?
C233 H23l 0.98 ?
P21 C261 1.847(7) y
P21 C251 1.866(6) y
P21 C241 1.868(7) y
C241 C246 1.510(9) y
C241 C242 1.526(9) y
C241 H241 1 ?
C242 C243 1.514(9) y
C242 H24a 0.99 ?
C242 H24b 0.99 ?
C243 C244 1.539(10) y
C243 H24c 0.99 ?
C243 H24d 0.99 ?
C244 C245 1.512(10) y
C244 H24e 0.99 ?
C244 H24f 0.99 ?
C245 C246 1.549(10) y
C245 H24g 0.99 ?
C245 H24h 0.99 ?
C246 H24i 0.99 ?
C246 H24j 0.99 ?
C251 C252 1.507(9) y
C251 C256 1.548(8) y
C251 H251 1 ?
C252 C253 1.517(9) y
C252 H25a 0.99 ?
C252 H25b 0.99 ?
C253 C254 1.521(9) y
C253 H25c 0.99 ?
C253 H25d 0.99 ?
C254 C255 1.506(10) y
C254 H25e 0.99 ?
C254 H25f 0.99 ?
C255 C256 1.545(9) y
C255 H25g 0.99 ?
C255 H25h 0.99 ?
C256 H25i 0.99 ?
C256 H25j 0.99 ?
C261 C266 1.524(9) y
C261 C262 1.554(9) y
C261 H261 1 ?
C262 C263 1.499(10) y
C262 H26a 0.99 ?
C262 H26b 0.99 ?
C263 C264 1.530(11) y
C263 H26c 0.99 ?
C263 H26d 0.99 ?
C264 C265 1.511(10) y
C264 H26e 0.99 ?
C264 H26f 0.99 ?
C265 C266 1.534(10) y
C265 H26g 0.99 ?
C265 H26h 0.99 ?
C266 H26i 0.99 ?
C266 H26j 0.99 ?
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_publ_flag
C111 RU1 C11 C12 66.7(7) y
CL11 RU1 C11 C12 -22.0(7) y
CL12 RU1 C11 C12 156.9(6) y
P11 RU1 C11 C12 -111.5(6) y
RU1 C11 C12 C13 -11.00(11) y
RU1 C11 C12 C17 169.0(5) y
C17 C12 C13 C14 -1.00(11) y
C11 C12 C13 C14 179.1(7) y
C12 C13 C14 C15 -1.60(12) y
C13 C14 C15 C16 2.30(13) y
C14 C15 C16 C17 -0.50(13) y
C15 C16 C17 C12 -2.10(12) y
C13 C12 C17 C16 2.8(1) y
C11 C12 C17 C16 -177.2(7) y
C11 RU1 C111 N115 15.5(6) y
CL11 RU1 C111 N115 113.1(6) y
CL12 RU1 C111 N115 -73.6(6) y
P11 RU1 C111 N115 -172.1(4) y
C11 RU1 C111 N112 -164.1(5) y
CL11 RU1 C111 N112 -66.5(5) y
CL12 RU1 C111 N112 106.8(5) y
P11 RU1 C111 N112 8.30(11) y
N115 C111 N112 C116 171.8(5) y
RU1 C111 N112 C116 -8.5(8) y
N115 C111 N112 C113 10.3(7) y
RU1 C111 N112 C113 -170.1(4) y
C111 N112 C113 C114 -20.0(6) y
C116 N112 C113 C114 179.3(5) y
C111 N112 C113 C125 103.2(6) y
C116 N112 C113 C125 -57.4(7) y
N112 C113 C114 N115 21.0(6) y
C125 C113 C114 N115 -101.6(6) y
N112 C113 C114 C129 -103.1(5) y
C125 C113 C114 C129 134.3(6) y
N112 C111 N115 C133 -158.3(6) y
RU1 C111 N115 C133 22.0(9) y
N112 C111 N115 C114 4.9(7) y
RU1 C111 N115 C114 -174.8(5) y
C113 C114 N115 C111 -17.1(7) y
C129 C114 N115 C111 109.3(6) y
C113 C114 N115 C133 146.2(6) y
C129 C114 N115 C133 -87.3(7) y
C111 N112 C116 C121 -51.6(8) y
C113 N112 C116 C121 107.0(6) y
C111 N112 C116 C117 130.4(6) y
C113 N112 C116 C117 -70.9(8) y
C121 C116 C117 C118 -2.1(9) y
N112 C116 C117 C118 175.8(5) y
C121 C116 C117 C122 176.0(6) y
N112 C116 C117 C122 -6.1(9) y
C116 C117 C118 C119 0.0(9) y
C122 C117 C118 C119 -178.2(6) y
C117 C118 C119 C120 0.9(1) y
C118 C119 C120 C121 0.3(1) y
C119 C120 C121 C116 -2.4(1) y
C117 C116 C121 C120 3.4(9) y
N112 C116 C121 C120 -174.6(6) y
C118 C117 C122 C123 52.2(8) y
C116 C117 C122 C123 -125.9(7) y
C118 C117 C122 C124 -70.5(8) y
C116 C117 C122 C124 111.4(7) y
N112 C113 C125 C126 -60.7(7) y
C114 C113 C125 C126 54.9(7) y
N112 C113 C125 C127 64.4(7) y
C114 C113 C125 C127 -179.9(5) y
N112 C113 C125 C128 179.7(5) y
C114 C113 C125 C128 -64.7(7) y
N115 C114 C129 C130 -68.4(7) y
C113 C114 C129 C130 50.2(8) y
N115 C114 C129 C131 170.4(5) y
C113 C114 C129 C131 -71.0(7) y
N115 C114 C129 C132 52.5(7) y
C113 C114 C129 C132 171.1(5) y
C11 RU1 P11 C151 -109.1(3) y
C111 RU1 P11 C151 78.5(8) y
CL11 RU1 P11 C151 153.2(2) y
CL12 RU1 P11 C151 -19.9(2) y
C11 RU1 P11 C161 6.7(3) y
C111 RU1 P11 C161 -165.8(8) y
CL11 RU1 P11 C161 -91.1(2) y
CL12 RU1 P11 C161 95.9(2) y
C11 RU1 P11 C141 124.5(3) y
C111 RU1 P11 C141 -47.9(8) y
CL11 RU1 P11 C141 26.8(2) y
CL12 RU1 P11 C141 -146.3(2) y
C151 P11 C141 C146 64.2(6) y
C161 P11 C141 C146 -42.2(6) y
RU1 P11 C141 C146 -167.8(5) y
C151 P11 C141 C142 -64.1(5) y
C161 P11 C141 C142 -170.4(4) y
RU1 P11 C141 C142 63.9(5) y
C146 C141 C142 C143 56.8(7) y
P11 C141 C142 C143 -171.1(5) y
C141 C142 C143 C144 -55.9(9) y
C142 C143 C144 C145 56.7(9) y
C143 C144 C145 C146 -57.8(8) y
C144 C145 C146 C141 58.5(8) y
C142 C141 C146 C145 -57.8(8) y
P11 C141 C146 C145 173.0(5) y
C161 P11 C151 C152 49.9(5) y
C141 P11 C151 C152 -57.9(5) y
RU1 P11 C151 C152 174.8(4) y
C161 P11 C151 C156 179.8(4) y
C141 P11 C151 C156 71.9(5) y
RU1 P11 C151 C156 -55.4(5) y
C156 C151 C152 C153 61.1(7) y
P11 C151 C152 C153 -165.3(5) y
C151 C152 C153 C154 -58.0(8) y
C152 C153 C154 C155 53.0(8) y
C153 C154 C155 C156 -53.1(7) y
C154 C155 C156 C151 57.2(7) y
C152 C151 C156 C155 -60.3(6) y
P11 C151 C156 C155 165.1(4) y
C151 P11 C161 C162 54.4(5) y
C141 P11 C161 C162 168.5(4) y
RU1 P11 C161 C162 -68.5(5) y
C151 P11 C161 C166 -178.7(4) y
C141 P11 C161 C166 -64.7(5) y
RU1 P11 C161 C166 58.3(5) y
C166 C161 C162 C163 55.9(7) y
P11 C161 C162 C163 -176.7(4) y
C161 C162 C163 C164 -55.5(7) y
C162 C163 C164 C165 54.8(8) y
C163 C164 C165 C166 -55.5(8) y
C164 C165 C166 C161 55.0(7) y
C162 C161 C166 C165 -55.1(7) y
P11 C161 C166 C165 176.2(4) y
C211 RU2 C21 C22 69.6(7) y
CL22 RU2 C21 C22 -19.0(6) y
CL21 RU2 C21 C22 158.9(6) y
P21 RU2 C21 C22 -108.0(6) y
RU2 C21 C22 C23 -8.1(1) y
RU2 C21 C22 C27 171.4(5) y
C27 C22 C23 C24 -0.9(1) y
C21 C22 C23 C24 178.6(6) y
C22 C23 C24 C25 -0.10(11) y
C23 C24 C25 C26 0.70(12) y
C24 C25 C26 C27 -0.20(12) y
C25 C26 C27 C22 -0.90(11) y
C23 C22 C27 C26 1.4(1) y
C21 C22 C27 C26 -178.1(6) y
C21 RU2 C211 N215 13.5(6) y
CL22 RU2 C211 N215 111.5(6) y
CL21 RU2 C211 N215 -76.0(6) y
P21 RU2 C211 N215 -176.1(4) y
C21 RU2 C211 N212 -162.9(5) y
CL22 RU2 C211 N212 -64.9(5) y
CL21 RU2 C211 N212 107.6(5) y
P21 RU2 C211 N212 7.50(11) y
N215 C211 N212 C216 171.2(5) y
RU2 C211 N212 C216 -11.7(8) y
N215 C211 N212 C213 10.5(7) y
RU2 C211 N212 C213 -172.4(4) y
C211 N212 C213 C214 -19.8(6) y
C216 N212 C213 C214 -179.6(5) y
C211 N212 C213 C225 103.5(6) y
C216 N212 C213 C225 -56.3(7) y
N212 C213 C214 N215 20.3(6) y
C225 C213 C214 N215 -102.9(5) y
N212 C213 C214 C229 -103.9(5) y
C225 C213 C214 C229 132.8(6) y
N212 C211 N215 C233 -158.8(5) y
RU2 C211 N215 C233 24.5(9) y
N212 C211 N215 C214 4.4(7) y
RU2 C211 N215 C214 -172.3(4) y
C213 C214 N215 C211 -16.5(7) y
C229 C214 N215 C211 110.9(6) y
C213 C214 N215 C233 146.9(5) y
C229 C214 N215 C233 -85.7(6) y
C211 N212 C216 C221 -52.3(8) y
C213 N212 C216 C221 105.5(6) y
C211 N212 C216 C217 128.2(6) y
C213 N212 C216 C217 -73.9(8) y
C221 C216 C217 C218 -2.8(8) y
N212 C216 C217 C218 176.6(5) y
C221 C216 C217 C222 177.4(6) y
N212 C216 C217 C222 -3.2(9) y
C216 C217 C218 C219 1.6(9) y
C222 C217 C218 C219 -178.5(6) y
C217 C218 C219 C220 0.1(1) y
C218 C219 C220 C221 -0.6(9) y
C219 C220 C221 C216 -0.6(9) y
C217 C216 C221 C220 2.4(9) y
N212 C216 C221 C220 -177.0(5) y
C216 C217 C222 C224 -127.9(7) y
C218 C217 C222 C224 52.3(9) y
C216 C217 C222 C223 108.2(7) y
C218 C217 C222 C223 -71.6(7) y
N212 C213 C225 C226 -58.4(7) y
C214 C213 C225 C226 57.1(6) y
N212 C213 C225 C228 65.4(7) y
C214 C213 C225 C228 -179.1(5) y
N212 C213 C225 C227 -178.4(5) y
C214 C213 C225 C227 -62.9(7) y
N215 C214 C229 C230 52.3(6) y
C213 C214 C229 C230 171.2(5) y
N215 C214 C229 C232 170.2(5) y
C213 C214 C229 C232 -70.9(6) y
N215 C214 C229 C231 -68.3(7) y
C213 C214 C229 C231 50.6(7) y
C21 RU2 P21 C261 -104.3(3) y
C211 RU2 P21 C261 85.3(8) y
CL22 RU2 P21 C261 157.7(3) y
CL21 RU2 P21 C261 -14.3(3) y
C21 RU2 P21 C251 129.9(3) y
C211 RU2 P21 C251 -40.5(8) y
CL22 RU2 P21 C251 31.9(2) y
CL21 RU2 P21 C251 -140.1(2) y
C21 RU2 P21 C241 12.3(3) y
C211 RU2 P21 C241 -158.1(7) y
CL22 RU2 P21 C241 -85.7(2) y
CL21 RU2 P21 C241 102.2(2) y
C261 P21 C241 C246 55.5(5) y
C251 P21 C241 C246 170.8(4) y
RU2 P21 C241 C246 -66.9(5) y
C261 P21 C241 C242 -176.3(5) y
C251 P21 C241 C242 -61.0(5) y
RU2 P21 C241 C242 61.3(5) y
C246 C241 C242 C243 -56.9(7) y
P21 C241 C242 C243 174.8(5) y
C241 C242 C243 C244 56.5(8) y
C242 C243 C244 C245 -57.2(8) y
C243 C244 C245 C246 55.9(8) y
C242 C241 C246 C245 55.8(7) y
P21 C241 C246 C245 -176.1(5) y
C244 C245 C246 C241 -55.2(8) y
C261 P21 C251 C252 -69.5(5) y
C241 P21 C251 C252 -177.9(4) y
RU2 P21 C251 C252 57.0(5) y
C261 P21 C251 C256 62.0(6) y
C241 P21 C251 C256 -46.4(5) y
RU2 P21 C251 C256 -171.5(4) y
C256 C251 C252 C253 54.7(7) y
P21 C251 C252 C253 -171.0(5) y
C251 C252 C253 C254 -52.5(8) y
C252 C253 C254 C255 53.2(9) y
C253 C254 C255 C256 -57.5(8) y
C254 C255 C256 C251 57.8(8) y
C252 C251 C256 C255 -55.6(8) y
P21 C251 C256 C255 172.3(5) y
C251 P21 C261 C266 65.2(6) y
C241 P21 C261 C266 174.5(5) y
RU2 P21 C261 C266 -60.7(6) y
C251 P21 C261 C262 -64.8(6) y
C241 P21 C261 C262 44.4(6) y
RU2 P21 C261 C262 169.2(5) y
C266 C261 C262 C263 59.9(9) y
P21 C261 C262 C263 -166.4(6) y
C261 C262 C263 C264 -56.2(1) y
C262 C263 C264 C265 53.40(11) y
C263 C264 C265 C266 -54.3(1) y
C262 C261 C266 C265 -60.7(8) y
P21 C261 C266 C265 164.5(5) y
C264 C265 C266 C261 59.2(8) y
