#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:10:54 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179234 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/54/4315404.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_4315404
loop_
_publ_author_name
'Lindsay J. Hounjet'
'Matthias Bierenstiel'
'Michael J. Ferguson'
'Robert McDonald'
'Martin Cowie'
_publ_section_title
;
 Coordinatively Diverse ortho-Phosphinoaniline Complexes of Ruthenium and
 Isolation of a Putative Intermediate in Ketone Transfer Hydrogenation
 Catalysis
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              4288
_journal_page_last               4300
_journal_paper_doi               10.1021/ic100165t
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C43 H56 Cl N4 P2 Ru, Cl'
_chemical_formula_sum            'C43 H56 Cl2 N4 P2 Ru'
_chemical_formula_weight         862.83
_chemical_name_systematic
; 
 ? 
;
_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                   36.0666(14)
_cell_length_b                   10.3284(4)
_cell_length_c                   22.7085(9)
_cell_measurement_reflns_used    9719
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      27.25
_cell_measurement_theta_min      2.26
_cell_volume                     8459.1(6)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR-97 (Altomare et al, 1999)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'ω 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  0.0401
_diffrn_reflns_av_sigmaI/netI    0.0328
_diffrn_reflns_limit_h_max       46
_diffrn_reflns_limit_h_min       -46
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            71812
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.13
_exptl_absorpt_coefficient_mu    0.608
_exptl_absorpt_correction_T_max  0.9187
_exptl_absorpt_correction_T_min  0.8275
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 2008)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.355
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3600
_exptl_crystal_size_max          0.32
_exptl_crystal_size_mid          0.28
_exptl_crystal_size_min          0.14
_refine_diff_density_max         0.970
_refine_diff_density_min         -0.449
_refine_diff_density_rms         0.054
_refine_ls_abs_structure_details
'Flack H D (1983), Acta Cryst. A39, 876-881. 9428 Friedel pairs'
_refine_ls_abs_structure_Flack   0.298(12)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.022
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     940
_refine_ls_number_reflns         19378
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      1.022
_refine_ls_R_factor_all          0.0317
_refine_ls_R_factor_gt           0.0276
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0326P)²+1.9568P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0647
_reflns_number_gt                17974
_reflns_number_total             19378
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ic100165t_si_001_5.cif
_cod_data_source_block           4
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to the built-in table from CIF Core
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_original_cell_volume        8459.2(6)
_cod_database_code               4315404
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
RuA Ru 0.509133(5) 0.345954(17) 0.164839(8) 0.01664(4) Uani 1 1 d . . .
Cl1A Cl 0.533100(17) 0.17683(6) 0.10363(3) 0.02459(12) Uani 1 1 d . . .
P1A P 0.492450(16) 0.42565(6) 0.07024(3) 0.01708(12) Uani 1 1 d . . .
P2A P 0.558665(16) 0.46404(6) 0.12655(3) 0.01686(12) Uani 1 1 d . . .
N1A N 0.41429(6) 0.3327(2) 0.06873(9) 0.0248(5) Uani 1 1 d . . .
N2A N 0.49503(6) 0.6057(3) -0.04133(10) 0.0334(5) Uani 1 1 d . . .
N3A N 0.59308(6) 0.5910(2) 0.24134(10) 0.0304(5) Uani 1 1 d . . .
N4A N 0.62588(6) 0.5408(2) 0.05214(10) 0.0271(5) Uani 1 1 d . . .
C10A C 0.54151(6) 0.4542(2) 0.05042(10) 0.0193(5) Uani 1 1 d . . .
H10A H 0.5525 0.3810 0.0283 0.023 Uiso 1 1 calc R . .
H10B H 0.5451 0.5360 0.0284 0.023 Uiso 1 1 calc R . .
C11A C 0.47232(7) 0.3176(2) 0.01557(11) 0.0206(5) Uani 1 1 d . . .
C12A C 0.43534(7) 0.2810(2) 0.02034(11) 0.0222(5) Uani 1 1 d . . .
C13A C 0.41980(8) 0.1975(3) -0.02155(12) 0.0324(6) Uani 1 1 d . . .
H13A H 0.3945 0.1725 -0.0183 0.039 Uiso 1 1 calc R . .
C14A C 0.44090(8) 0.1514(3) -0.06730(13) 0.0382(7) Uani 1 1 d . . .
H14A H 0.4301 0.0955 -0.0958 0.046 Uiso 1 1 calc R . .
C15A C 0.47778(8) 0.1863(3) -0.07194(13) 0.0376(7) Uani 1 1 d . . .
H15A H 0.4926 0.1527 -0.1030 0.045 Uiso 1 1 calc R . .
C16A C 0.49305(7) 0.2697(3) -0.03144(12) 0.0308(6) Uani 1 1 d . . .
H16A H 0.5182 0.2952 -0.0356 0.037 Uiso 1 1 calc R . .
C17A C 0.38746(7) 0.4313(3) 0.04935(13) 0.0345(6) Uani 1 1 d . . .
H17A H 0.4003 0.4976 0.0262 0.041 Uiso 1 1 calc R . .
H17B H 0.3759 0.4716 0.0839 0.041 Uiso 1 1 calc R . .
H17C H 0.3683 0.3904 0.0251 0.041 Uiso 1 1 calc R . .
C18A C 0.39519(8) 0.2333(3) 0.10272(13) 0.0389(7) Uani 1 1 d . . .
H18A H 0.4131 0.1676 0.1155 0.047 Uiso 1 1 calc R . .
H18B H 0.3761 0.1925 0.0782 0.047 Uiso 1 1 calc R . .
H18C H 0.3835 0.2728 0.1373 0.047 Uiso 1 1 calc R . .
C21A C 0.47062(7) 0.5839(2) 0.05948(11) 0.0213(5) Uani 1 1 d . . .
C22A C 0.47683(7) 0.6602(3) 0.00934(12) 0.0268(6) Uani 1 1 d . . .
C23A C 0.46420(9) 0.7881(3) 0.00930(15) 0.0400(7) Uani 1 1 d . . .
H23A H 0.4696 0.8429 -0.0232 0.048 Uiso 1 1 calc R . .
C24A C 0.44390(10) 0.8355(3) 0.05623(16) 0.0474(9) Uani 1 1 d . . .
H24A H 0.4361 0.9233 0.0561 0.057 Uiso 1 1 calc R . .
C25A C 0.43491(9) 0.7576(3) 0.10303(14) 0.0408(7) Uani 1 1 d . . .
H25A H 0.4196 0.7892 0.1338 0.049 Uiso 1 1 calc R . .
C26A C 0.44864(7) 0.6312(3) 0.10477(12) 0.0294(6) Uani 1 1 d . . .
H26A H 0.4429 0.5771 0.1373 0.035 Uiso 1 1 calc R . .
C27A C 0.52222(10) 0.6900(4) -0.06968(16) 0.0564(10) Uani 1 1 d . . .
H27A H 0.5401 0.7204 -0.0403 0.068 Uiso 1 1 calc R . .
H27B H 0.5095 0.7645 -0.0872 0.068 Uiso 1 1 calc R . .
H27C H 0.5352 0.6417 -0.1005 0.068 Uiso 1 1 calc R . .
C28A C 0.46808(9) 0.5602(3) -0.08453(12) 0.0428(8) Uani 1 1 d . . .
H28A H 0.4499 0.5043 -0.0651 0.051 Uiso 1 1 calc R . .
H28B H 0.4809 0.5112 -0.1154 0.051 Uiso 1 1 calc R . .
H28C H 0.4554 0.6346 -0.1022 0.051 Uiso 1 1 calc R . .
C31A C 0.56614(6) 0.6357(2) 0.14346(11) 0.0212(5) Uani 1 1 d . . .
C32A C 0.58339(7) 0.6799(3) 0.19504(12) 0.0260(5) Uani 1 1 d . . .
C33A C 0.59111(8) 0.8119(3) 0.20082(14) 0.0344(6) Uani 1 1 d . . .
H33A H 0.6032 0.8420 0.2354 0.041 Uiso 1 1 calc R . .
C34A C 0.58153(8) 0.8996(3) 0.15737(15) 0.0385(7) Uani 1 1 d . . .
H34A H 0.5876 0.9886 0.1616 0.046 Uiso 1 1 calc R . .
C35A C 0.56317(8) 0.8569(3) 0.10792(14) 0.0336(6) Uani 1 1 d . . .
H35A H 0.5558 0.9170 0.0785 0.040 Uiso 1 1 calc R . .
C36A C 0.55551(7) 0.7271(2) 0.10105(12) 0.0261(5) Uani 1 1 d . . .
H36A H 0.5427 0.6989 0.0668 0.031 Uiso 1 1 calc R . .
C37A C 0.63280(8) 0.5626(3) 0.24209(15) 0.0439(8) Uani 1 1 d . . .
H37A H 0.6383 0.5021 0.2742 0.053 Uiso 1 1 calc R . .
H37B H 0.6467 0.6430 0.2481 0.053 Uiso 1 1 calc R . .
H37C H 0.6400 0.5237 0.2045 0.053 Uiso 1 1 calc R . .
C38A C 0.58235(9) 0.6396(3) 0.29963(13) 0.0436(8) Uani 1 1 d . . .
H38A H 0.5558 0.6593 0.2998 0.052 Uiso 1 1 calc R . .
H38B H 0.5964 0.7184 0.3085 0.052 Uiso 1 1 calc R . .
H38C H 0.5877 0.5737 0.3295 0.052 Uiso 1 1 calc R . .
C41A C 0.60462(6) 0.3892(2) 0.12805(10) 0.0200(5) Uani 1 1 d . . .
C42A C 0.63320(7) 0.4349(2) 0.09189(11) 0.0234(5) Uani 1 1 d . . .
C43A C 0.66804(7) 0.3776(3) 0.09580(13) 0.0307(6) Uani 1 1 d . . .
H43A H 0.6878 0.4088 0.0720 0.037 Uiso 1 1 calc R . .
C44A C 0.67425(7) 0.2752(3) 0.13422(13) 0.0345(7) Uani 1 1 d . . .
H44A H 0.6982 0.2369 0.1365 0.041 Uiso 1 1 calc R . .
C45A C 0.64583(7) 0.2290(2) 0.16903(13) 0.0295(6) Uani 1 1 d . . .
H45A H 0.6500 0.1583 0.1949 0.035 Uiso 1 1 calc R . .
C46A C 0.61107(6) 0.2865(2) 0.16604(12) 0.0249(5) Uani 1 1 d . . .
H46A H 0.5915 0.2552 0.1902 0.030 Uiso 1 1 calc R . .
C47A C 0.64677(9) 0.6568(3) 0.06898(15) 0.0407(7) Uani 1 1 d . . .
H47A H 0.6412 0.6791 0.1100 0.049 Uiso 1 1 calc R . .
H47B H 0.6397 0.7290 0.0433 0.049 Uiso 1 1 calc R . .
H47C H 0.6734 0.6399 0.0649 0.049 Uiso 1 1 calc R . .
C48A C 0.63319(10) 0.5055(3) -0.00889(14) 0.0471(8) Uani 1 1 d . . .
H48A H 0.6188 0.4281 -0.0191 0.056 Uiso 1 1 calc R . .
H48B H 0.6597 0.4875 -0.0139 0.056 Uiso 1 1 calc R . .
H48C H 0.6260 0.5771 -0.0348 0.056 Uiso 1 1 calc R . .
C50A C 0.47749(9) 0.6062(3) 0.24613(13) 0.0351(7) Uani 1 1 d . . .
H50A H 0.4808 0.6299 0.2876 0.042 Uiso 1 1 calc R . .
H50B H 0.4521 0.6271 0.2338 0.042 Uiso 1 1 calc R . .
H50C H 0.4951 0.6547 0.2218 0.042 Uiso 1 1 calc R . .
C51A C 0.49748(7) 0.1887(3) 0.23396(11) 0.0243(5) Uani 1 1 d . . .
C52A C 0.46346(7) 0.2418(3) 0.21468(11) 0.0251(5) Uani 1 1 d . . .
H52A H 0.4458 0.1856 0.1924 0.030 Uiso 1 1 calc R . .
C53A C 0.45713(7) 0.3768(3) 0.21675(11) 0.0252(5) Uani 1 1 d . . .
H53A H 0.4348 0.4131 0.1964 0.030 Uiso 1 1 calc R . .
C54A C 0.48422(7) 0.4628(3) 0.23865(11) 0.0263(5) Uani 1 1 d . . .
C55A C 0.51906(7) 0.4083(3) 0.25543(10) 0.0251(5) Uani 1 1 d . . .
H55A H 0.5403 0.4676 0.2637 0.030 Uiso 1 1 calc R . .
C56A C 0.52537(7) 0.2740(3) 0.25448(10) 0.0238(5) Uani 1 1 d . . .
H56A H 0.5510 0.2404 0.2610 0.029 Uiso 1 1 calc R . .
C57A C 0.50617(8) 0.0453(3) 0.23285(13) 0.0330(6) Uani 1 1 d . . .
H57A H 0.5327 0.0362 0.2207 0.040 Uiso 1 1 calc R . .
C58A C 0.50296(11) -0.0078(3) 0.29512(16) 0.0562(10) Uani 1 1 d . . .
H58A H 0.5182 0.0444 0.3218 0.067 Uiso 1 1 calc R . .
H58B H 0.5116 -0.0978 0.2958 0.067 Uiso 1 1 calc R . .
H58C H 0.4770 -0.0043 0.3079 0.067 Uiso 1 1 calc R . .
C59A C 0.48311(8) -0.0326(3) 0.18940(15) 0.0406(7) Uani 1 1 d . . .
H59A H 0.4902 -0.1241 0.1917 0.049 Uiso 1 1 calc R . .
H59B H 0.4876 -0.0005 0.1494 0.049 Uiso 1 1 calc R . .
H59C H 0.4568 -0.0233 0.1991 0.049 Uiso 1 1 calc R . .
RuB Ru 0.242809(5) 0.767045(17) 0.837620(9) 0.01988(4) Uani 1 1 d . . .
Cl1B Cl 0.223295(18) 0.60249(6) 0.90500(3) 0.02908(13) Uani 1 1 d . . .
P1B P 0.259515(16) 0.86688(6) 0.92854(3) 0.02052(13) Uani 1 1 d . . .
P2B P 0.191693(16) 0.88103(6) 0.87321(3) 0.01981(12) Uani 1 1 d . . .
N1B N 0.33703(6) 0.7886(2) 0.93929(10) 0.0290(5) Uani 1 1 d . . .
N2B N 0.25694(7) 1.0763(3) 1.02885(12) 0.0448(7) Uani 1 1 d . . .
N3B N 0.14833(7) 0.9512(3) 0.75955(11) 0.0466(7) Uani 1 1 d . . .
N4B N 0.12842(6) 0.9593(2) 0.95466(10) 0.0270(5) Uani 1 1 d . . .
C10B C 0.21074(6) 0.8986(3) 0.94726(10) 0.0231(5) Uani 1 1 d . . .
H10C H 0.2006 0.8335 0.9750 0.028 Uiso 1 1 calc R . .
H10D H 0.2070 0.9867 0.9633 0.028 Uiso 1 1 calc R . .
C11B C 0.27865(7) 0.7770(3) 0.99059(11) 0.0236(5) Uani 1 1 d . . .
C12B C 0.31647(7) 0.7545(2) 0.99133(11) 0.0259(5) Uani 1 1 d . . .
C13B C 0.33288(8) 0.7009(3) 1.04111(13) 0.0354(7) Uani 1 1 d . . .
H13B H 0.3590 0.6893 1.0422 0.042 Uiso 1 1 calc R . .
C14B C 0.31167(9) 0.6645(3) 1.08888(14) 0.0417(7) Uani 1 1 d . . .
H14B H 0.3231 0.6273 1.1226 0.050 Uiso 1 1 calc R . .
C15B C 0.27387(9) 0.6825(3) 1.08724(13) 0.0417(8) Uani 1 1 d . . .
H15B H 0.2590 0.6551 1.1195 0.050 Uiso 1 1 calc R . .
C16B C 0.25743(7) 0.7400(3) 1.03905(13) 0.0340(7) Uani 1 1 d . . .
H16B H 0.2314 0.7545 1.0389 0.041 Uiso 1 1 calc R . .
C17B C 0.36808(9) 0.8744(4) 0.95175(15) 0.0539(10) Uani 1 1 d . . .
H17D H 0.3592 0.9506 0.9733 0.065 Uiso 1 1 calc R . .
H17E H 0.3795 0.9020 0.9147 0.065 Uiso 1 1 calc R . .
H17F H 0.3865 0.8285 0.9757 0.065 Uiso 1 1 calc R . .
C18B C 0.34932(10) 0.6740(3) 0.90706(14) 0.0483(9) Uani 1 1 d . . .
H18D H 0.3280 0.6179 0.8991 0.058 Uiso 1 1 calc R . .
H18E H 0.3676 0.6267 0.9307 0.058 Uiso 1 1 calc R . .
H18F H 0.3606 0.7006 0.8697 0.058 Uiso 1 1 calc R . .
C21B C 0.28324(7) 1.0227(3) 0.93185(12) 0.0279(6) Uani 1 1 d . . .
C22B C 0.27865(8) 1.1113(3) 0.97796(14) 0.0360(7) Uani 1 1 d . . .
C23B C 0.29660(10) 1.2319(3) 0.97468(17) 0.0526(9) Uani 1 1 d . . .
H23B H 0.2925 1.2949 1.0044 0.063 Uiso 1 1 calc R . .
C24B C 0.32015(12) 1.2590(3) 0.92819(19) 0.0600(11) Uani 1 1 d . . .
H24B H 0.3319 1.3412 0.9261 0.072 Uiso 1 1 calc R . .
C25B C 0.32692(10) 1.1685(3) 0.88478(16) 0.0527(9) Uani 1 1 d . . .
H25B H 0.3441 1.1861 0.8541 0.063 Uiso 1 1 calc R . .
C26B C 0.30824(8) 1.0520(3) 0.88674(13) 0.0376(7) Uani 1 1 d . . .
H26B H 0.3125 0.9899 0.8566 0.045 Uiso 1 1 calc R . .
C27B C 0.23027(11) 1.1739(5) 1.04717(18) 0.0729(14) Uani 1 1 d . . .
H27D H 0.2144 1.1970 1.0137 0.087 Uiso 1 1 calc R . .
H27E H 0.2435 1.2510 1.0610 0.087 Uiso 1 1 calc R . .
H27F H 0.2149 1.1394 1.0791 0.087 Uiso 1 1 calc R . .
C28B C 0.28064(9) 1.0414(4) 1.07857(14) 0.0502(9) Uani 1 1 d . . .
H28D H 0.2986 0.9757 1.0661 0.060 Uiso 1 1 calc R . .
H28E H 0.2653 1.0066 1.1105 0.060 Uiso 1 1 calc R . .
H28F H 0.2939 1.1184 1.0925 0.060 Uiso 1 1 calc R . .
C31B C 0.18007(6) 1.0426(2) 0.84607(12) 0.0273(6) Uani 1 1 d . . .
C32B C 0.15954(7) 1.0602(3) 0.79385(13) 0.0378(7) Uani 1 1 d . . .
C33B C 0.14993(9) 1.1871(4) 0.77789(18) 0.0561(10) Uani 1 1 d . . .
H33B H 0.1361 1.2007 0.7429 0.067 Uiso 1 1 calc R . .
C34B C 0.15984(10) 1.2911(4) 0.8110(2) 0.0606(11) Uani 1 1 d . . .
H34B H 0.1522 1.3754 0.7995 0.073 Uiso 1 1 calc R . .
C35B C 0.18091(10) 1.2747(3) 0.86105(18) 0.0519(9) Uani 1 1 d . . .
H35B H 0.1885 1.3475 0.8836 0.062 Uiso 1 1 calc R . .
C36B C 0.19098(8) 1.1501(3) 0.87813(15) 0.0397(7) Uani 1 1 d . . .
H36B H 0.2056 1.1387 0.9125 0.048 Uiso 1 1 calc R . .
C37B C 0.10879(8) 0.9196(4) 0.76818(16) 0.0566(10) Uani 1 1 d . . .
H37D H 0.1038 0.9081 0.8103 0.068 Uiso 1 1 calc R . .
H37E H 0.1028 0.8394 0.7471 0.068 Uiso 1 1 calc R . .
H37F H 0.0935 0.9903 0.7529 0.068 Uiso 1 1 calc R . .
C38B C 0.15423(12) 0.9671(5) 0.69541(15) 0.0750(14) Uani 1 1 d . . .
H38D H 0.1803 0.9881 0.6879 0.090 Uiso 1 1 calc R . .
H38E H 0.1385 1.0373 0.6807 0.090 Uiso 1 1 calc R . .
H38F H 0.1478 0.8864 0.6752 0.090 Uiso 1 1 calc R . .
C41B C 0.14755(6) 0.7978(2) 0.88150(11) 0.0229(5) Uani 1 1 d . . .
C42B C 0.12052(7) 0.8468(3) 0.91926(11) 0.0264(5) Uani 1 1 d . . .
C43B C 0.08601(7) 0.7862(3) 0.92161(14) 0.0372(7) Uani 1 1 d . . .
H43B H 0.0674 0.8187 0.9473 0.045 Uiso 1 1 calc R . .
C44B C 0.07859(8) 0.6794(3) 0.88704(14) 0.0415(7) Uani 1 1 d . . .
H44B H 0.0548 0.6399 0.8886 0.050 Uiso 1 1 calc R . .
C45B C 0.10541(7) 0.6295(3) 0.85021(13) 0.0357(7) Uani 1 1 d . . .
H45B H 0.1003 0.5553 0.8269 0.043 Uiso 1 1 calc R . .
C46B C 0.13996(7) 0.6889(3) 0.84757(11) 0.0289(6) Uani 1 1 d . . .
H46B H 0.1586 0.6548 0.8223 0.035 Uiso 1 1 calc R . .
C47B C 0.10422(9) 1.0686(3) 0.94024(15) 0.0424(7) Uani 1 1 d . . .
H47D H 0.1056 1.0863 0.8979 0.051 Uiso 1 1 calc R . .
H47E H 0.1123 1.1454 0.9621 0.051 Uiso 1 1 calc R . .
H47F H 0.0786 1.0474 0.9510 0.051 Uiso 1 1 calc R . .
C48B C 0.12697(8) 0.9309(3) 1.01799(13) 0.0368(7) Uani 1 1 d . . .
H48D H 0.1434 0.8578 1.0269 0.044 Uiso 1 1 calc R . .
H48E H 0.1015 0.9088 1.0292 0.044 Uiso 1 1 calc R . .
H48F H 0.1351 1.0072 1.0402 0.044 Uiso 1 1 calc R . .
C50B C 0.27800(11) 1.0151(3) 0.75044(15) 0.0516(9) Uani 1 1 d . . .
H50D H 0.2778 1.0315 0.7079 0.062 Uiso 1 1 calc R . .
H50E H 0.3027 1.0345 0.7662 0.062 Uiso 1 1 calc R . .
H50F H 0.2596 1.0704 0.7697 0.062 Uiso 1 1 calc R . .
C51B C 0.25184(8) 0.6052(3) 0.76930(12) 0.0291(6) Uani 1 1 d . . .
C52B C 0.28655(7) 0.6541(3) 0.78767(12) 0.0293(6) Uani 1 1 d . . .
H52B H 0.3037 0.5962 0.8100 0.035 Uiso 1 1 calc R . .
C53B C 0.29459(8) 0.7866(3) 0.78408(12) 0.0315(6) Uani 1 1 d . . .
H53B H 0.3176 0.8199 0.8035 0.038 Uiso 1 1 calc R . .
C54B C 0.26884(8) 0.8757(3) 0.76177(12) 0.0337(6) Uani 1 1 d . . .
C55B C 0.23333(8) 0.8256(3) 0.74700(11) 0.0317(6) Uani 1 1 d . . .
H55B H 0.2128 0.8882 0.7387 0.038 Uiso 1 1 calc R . .
C56B C 0.22478(8) 0.6921(3) 0.74920(11) 0.0282(6) Uani 1 1 d . . .
H56B H 0.1987 0.6622 0.7431 0.034 Uiso 1 1 calc R . .
C57B C 0.24214(9) 0.4623(3) 0.77095(14) 0.0380(7) Uani 1 1 d . . .
H57B H 0.2166 0.4554 0.7879 0.046 Uiso 1 1 calc R . .
C58B C 0.24015(14) 0.4095(4) 0.70796(18) 0.0724(13) Uani 1 1 d . . .
H58D H 0.2235 0.4639 0.6844 0.087 Uiso 1 1 calc R . .
H58E H 0.2306 0.3206 0.7087 0.087 Uiso 1 1 calc R . .
H58F H 0.2650 0.4101 0.6905 0.087 Uiso 1 1 calc R . .
C59B C 0.26730(9) 0.3808(3) 0.80904(17) 0.0517(9) Uani 1 1 d . . .
H59D H 0.2678 0.4163 0.8491 0.062 Uiso 1 1 calc R . .
H59E H 0.2924 0.3816 0.7926 0.062 Uiso 1 1 calc R . .
H59G H 0.2580 0.2917 0.8101 0.062 Uiso 1 1 calc R . .
Cl2A Cl 0.369352(19) 0.54136(8) 0.20580(3) 0.03758(16) Uani 1 1 d . . .
Cl2B Cl 0.38981(2) 0.92625(7) 0.79737(3) 0.03829(16) Uani 1 1 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
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
C55A RuA C53A 66.39(9) . . ?
C55A RuA C56A 36.96(10) . . ?
C53A RuA C56A 77.77(9) . . ?
C55A RuA C54A 37.53(10) . . ?
C53A RuA C54A 36.62(9) . . ?
C56A RuA C54A 66.83(9) . . ?
C55A RuA C52A 77.82(10) . . ?
C53A RuA C52A 36.56(9) . . ?
C56A RuA C52A 65.18(9) . . ?
C54A RuA C52A 66.01(10) . . ?
C55A RuA C51A 66.11(10) . . ?
C53A RuA C51A 65.64(9) . . ?
C56A RuA C51A 36.32(9) . . ?
C54A RuA C51A 78.31(9) . . ?
C52A RuA C51A 36.04(9) . . ?
C55A RuA P2A 94.10(7) . . ?
C53A RuA P2A 139.82(7) . . ?
C56A RuA P2A 108.15(7) . . ?
C54A RuA P2A 107.63(7) . . ?
C52A RuA P2A 171.92(7) . . ?
C51A RuA P2A 139.90(7) . . ?
C55A RuA P1A 142.18(7) . . ?
C53A RuA P1A 102.38(7) . . ?
C56A RuA P1A 179.00(7) . . ?
C54A RuA P1A 112.69(7) . . ?
C52A RuA P1A 115.53(7) . . ?
C51A RuA P1A 144.65(7) . . ?
P2A RuA P1A 71.09(2) . . ?
C55A RuA Cl1A 134.63(7) . . ?
C53A RuA Cl1A 135.43(7) . . ?
C56A RuA Cl1A 101.01(7) . . ?
C54A RuA Cl1A 165.27(7) . . ?
C52A RuA Cl1A 101.87(7) . . ?
C51A RuA Cl1A 86.96(7) . . ?
P2A RuA Cl1A 83.60(2) . . ?
P1A RuA Cl1A 79.60(2) . . ?
C11A P1A C21A 106.55(11) . . ?
C11A P1A C10A 108.26(11) . . ?
C21A P1A C10A 103.68(11) . . ?
C11A P1A RuA 120.31(8) . . ?
C21A P1A RuA 122.58(8) . . ?
C10A P1A RuA 91.89(7) . . ?
C41A P2A C31A 105.75(11) . . ?
C41A P2A C10A 107.41(11) . . ?
C31A P2A C10A 107.44(11) . . ?
C41A P2A RuA 117.79(8) . . ?
C31A P2A RuA 122.70(8) . . ?
C10A P2A RuA 93.67(8) . . ?
C12A N1A C18A 113.1(2) . . ?
C12A N1A C17A 112.0(2) . . ?
C18A N1A C17A 109.6(2) . . ?
C22A N2A C28A 111.1(2) . . ?
C22A N2A C27A 115.2(3) . . ?
C28A N2A C27A 110.1(2) . . ?
C32A N3A C37A 112.0(2) . . ?
C32A N3A C38A 112.1(2) . . ?
C37A N3A C38A 108.4(2) . . ?
C42A N4A C48A 111.8(2) . . ?
C42A N4A C47A 111.3(2) . . ?
C48A N4A C47A 111.1(2) . . ?
P2A C10A P1A 95.85(11) . . ?
C12A C11A C16A 118.6(2) . . ?
C12A C11A P1A 119.72(18) . . ?
C16A C11A P1A 121.73(19) . . ?
C11A C12A C13A 119.9(2) . . ?
C11A C12A N1A 117.7(2) . . ?
C13A C12A N1A 122.4(2) . . ?
C14A C13A C12A 120.4(2) . . ?
C13A C14A C15A 120.1(3) . . ?
C16A C15A C14A 119.8(3) . . ?
C15A C16A C11A 121.3(2) . . ?
C26A C21A C22A 119.7(2) . . ?
C26A C21A P1A 117.48(19) . . ?
C22A C21A P1A 122.8(2) . . ?
C23A C22A C21A 118.7(3) . . ?
C23A C22A N2A 121.2(3) . . ?
C21A C22A N2A 120.2(2) . . ?
C24A C23A C22A 120.4(3) . . ?
C25A C24A C23A 121.0(3) . . ?
C24A C25A C26A 119.1(3) . . ?
C21A C26A C25A 120.7(3) . . ?
C36A C31A C32A 118.4(2) . . ?
C36A C31A P2A 117.85(19) . . ?
C32A C31A P2A 123.73(19) . . ?
C33A C32A C31A 119.0(3) . . ?
C33A C32A N3A 120.4(2) . . ?
C31A C32A N3A 120.6(2) . . ?
C34A C33A C32A 121.5(3) . . ?
C35A C34A C33A 119.5(3) . . ?
C34A C35A C36A 120.0(3) . . ?
C35A C36A C31A 121.5(3) . . ?
C46A C41A C42A 120.0(2) . . ?
C46A C41A P2A 119.12(18) . . ?
C42A C41A P2A 120.91(18) . . ?
C43A C42A C41A 118.9(2) . . ?
C43A C42A N4A 121.9(2) . . ?
C41A C42A N4A 119.2(2) . . ?
C44A C43A C42A 120.6(2) . . ?
C45A C44A C43A 120.2(2) . . ?
C44A C45A C46A 119.7(2) . . ?
C41A C46A C45A 120.6(2) . . ?
C52A C51A C56A 118.5(2) . . ?
C52A C51A C57A 123.6(2) . . ?
C56A C51A C57A 117.9(2) . . ?
C52A C51A RuA 70.91(14) . . ?
C56A C51A RuA 69.81(14) . . ?
C57A C51A RuA 129.96(18) . . ?
C51A C52A C53A 120.8(2) . . ?
C51A C52A RuA 73.05(14) . . ?
C53A C52A RuA 70.50(14) . . ?
C54A C53A C52A 121.4(2) . . ?
C54A C53A RuA 72.24(14) . . ?
C52A C53A RuA 72.94(14) . . ?
C53A C54A C55A 117.1(2) . . ?
C53A C54A C50A 123.1(2) . . ?
C55A C54A C50A 119.9(3) . . ?
C53A C54A RuA 71.14(14) . . ?
C55A C54A RuA 68.68(14) . . ?
C50A C54A RuA 132.32(19) . . ?
C56A C55A C54A 121.8(2) . . ?
C56A C55A RuA 73.82(14) . . ?
C54A C55A RuA 73.79(14) . . ?
C55A C56A C51A 120.3(2) . . ?
C55A C56A RuA 69.22(14) . . ?
C51A C56A RuA 73.88(14) . . ?
C51A C57A C59A 114.5(2) . . ?
C51A C57A C58A 108.8(2) . . ?
C59A C57A C58A 111.8(3) . . ?
C55B RuB C53B 65.88(10) . . ?
C55B RuB C56B 37.27(11) . . ?
C53B RuB C56B 77.72(10) . . ?
C55B RuB C54B 37.34(11) . . ?
C53B RuB C54B 36.33(11) . . ?
C56B RuB C54B 67.07(10) . . ?
C55B RuB C52B 77.21(10) . . ?
C53B RuB C52B 36.24(10) . . ?
C56B RuB C52B 64.98(10) . . ?
C54B RuB C52B 65.47(10) . . ?
C55B RuB C51B 65.57(10) . . ?
C53B RuB C51B 65.26(10) . . ?
C56B RuB C51B 35.86(10) . . ?
C54B RuB C51B 77.78(10) . . ?
C52B RuB C51B 36.01(10) . . ?
C55B RuB P2B 93.63(8) . . ?
C53B RuB P2B 143.38(8) . . ?
C56B RuB P2B 104.75(7) . . ?
C54B RuB P2B 109.99(8) . . ?
C52B RuB P2B 169.62(7) . . ?
C51B RuB P2B 135.36(7) . . ?
C55B RuB P1B 137.68(8) . . ?
C53B RuB P1B 102.74(7) . . ?
C56B RuB P1B 174.31(8) . . ?
C54B RuB P1B 109.88(8) . . ?
C52B RuB P1B 118.68(7) . . ?
C51B RuB P1B 149.41(7) . . ?
P2B RuB P1B 71.43(2) . . ?
C55B RuB Cl1B 139.24(8) . . ?
C53B RuB Cl1B 131.07(8) . . ?
C56B RuB Cl1B 103.97(7) . . ?
C54B RuB Cl1B 164.21(8) . . ?
C52B RuB Cl1B 99.17(7) . . ?
C51B RuB Cl1B 87.52(7) . . ?
P2B RuB Cl1B 84.52(2) . . ?
P1B RuB Cl1B 80.09(2) . . ?
C11B P1B C21B 103.87(12) . . ?
C11B P1B C10B 105.91(11) . . ?
C21B P1B C10B 106.38(12) . . ?
C11B P1B RuB 123.00(9) . . ?
C21B P1B RuB 122.38(9) . . ?
C10B P1B RuB 92.03(8) . . ?
C41B P2B C10B 106.31(11) . . ?
C41B P2B C31B 105.40(11) . . ?
C10B P2B C31B 107.84(13) . . ?
C41B P2B RuB 119.29(9) . . ?
C10B P2B RuB 94.12(8) . . ?
C31B P2B RuB 121.70(8) . . ?
C12B N1B C17B 112.7(2) . . ?
C12B N1B C18B 111.7(2) . . ?
C17B N1B C18B 110.9(3) . . ?
C22B N2B C27B 114.5(3) . . ?
C22B N2B C28B 111.3(2) . . ?
C27B N2B C28B 109.7(3) . . ?
C32B N3B C37B 112.1(3) . . ?
C32B N3B C38B 114.1(3) . . ?
C37B N3B C38B 107.1(3) . . ?
C42B N4B C47B 112.3(2) . . ?
C42B N4B C48B 112.2(2) . . ?
C47B N4B C48B 110.6(2) . . ?
P2B C10B P1B 97.43(12) . . ?
C12B C11B C16B 119.0(2) . . ?
C12B C11B P1B 117.9(2) . . ?
C16B C11B P1B 122.8(2) . . ?
C11B C12B C13B 119.8(2) . . ?
C11B C12B N1B 117.2(2) . . ?
C13B C12B N1B 123.1(2) . . ?
C14B C13B C12B 120.8(3) . . ?
C15B C14B C13B 119.4(3) . . ?
C14B C15B C16B 120.4(3) . . ?
C15B C16B C11B 120.6(3) . . ?
C26B C21B C22B 118.9(3) . . ?
C26B C21B P1B 117.6(2) . . ?
C22B C21B P1B 123.5(2) . . ?
C21B C22B C23B 119.0(3) . . ?
C21B C22B N2B 120.0(3) . . ?
C23B C22B N2B 121.0(3) . . ?
C24B C23B C22B 120.2(3) . . ?
C25B C24B C23B 121.1(3) . . ?
C26B C25B C24B 118.8(4) . . ?
C25B C26B C21B 121.8(3) . . ?
C36B C31B C32B 119.2(3) . . ?
C36B C31B P2B 119.3(2) . . ?
C32B C31B P2B 121.5(2) . . ?
C33B C32B C31B 117.9(3) . . ?
C33B C32B N3B 121.7(3) . . ?
C31B C32B N3B 120.4(2) . . ?
C34B C33B C32B 122.0(3) . . ?
C33B C34B C35B 120.3(3) . . ?
C34B C35B C36B 119.1(4) . . ?
C31B C36B C35B 121.4(3) . . ?
C46B C41B C42B 119.8(2) . . ?
C46B C41B P2B 119.81(19) . . ?
C42B C41B P2B 120.31(19) . . ?
C41B C42B C43B 119.0(2) . . ?
C41B C42B N4B 119.8(2) . . ?
C43B C42B N4B 121.1(2) . . ?
C44B C43B C42B 120.7(3) . . ?
C45B C44B C43B 120.5(3) . . ?
C44B C45B C46B 119.4(3) . . ?
C45B C46B C41B 120.6(2) . . ?
C56B C51B C52B 118.9(3) . . ?
C56B C51B C57B 118.0(3) . . ?
C52B C51B C57B 123.0(3) . . ?
C56B C51B RuB 69.89(15) . . ?
C52B C51B RuB 70.54(15) . . ?
C57B C51B RuB 131.04(19) . . ?
C53B C52B C51B 121.0(3) . . ?
C53B C52B RuB 70.76(15) . . ?
C51B C52B RuB 73.45(15) . . ?
C52B C53B C54B 121.7(3) . . ?
C52B C53B RuB 73.00(15) . . ?
C54B C53B RuB 72.70(16) . . ?
C53B C54B C55B 116.3(3) . . ?
C53B C54B C50B 123.1(3) . . ?
C55B C54B C50B 120.5(3) . . ?
C53B C54B RuB 70.97(16) . . ?
C55B C54B RuB 67.98(15) . . ?
C50B C54B RuB 134.4(2) . . ?
C56B C55B C54B 122.9(3) . . ?
C56B C55B RuB 74.28(15) . . ?
C54B C55B RuB 74.68(16) . . ?
C51B C56B C55B 118.9(3) . . ?
C51B C56B RuB 74.25(16) . . ?
C55B C56B RuB 68.45(15) . . ?
C59B C57B C51B 114.7(3) . . ?
C59B C57B C58B 111.3(3) . . ?
C51B C57B C58B 109.5(3) . . ?
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
RuA C55A 2.185(2) . ?
RuA C53A 2.238(2) . ?
RuA C56A 2.245(2) . ?
RuA C54A 2.252(3) . ?
RuA C52A 2.270(2) . ?
RuA C51A 2.298(2) . ?
RuA P2A 2.3313(6) . ?
RuA P1A 2.3778(6) . ?
RuA Cl1A 2.3938(6) . ?
P1A C11A 1.821(2) . ?
P1A C21A 1.830(2) . ?
P1A C10A 1.849(2) . ?
P2A C41A 1.829(2) . ?
P2A C31A 1.834(2) . ?
P2A C10A 1.839(2) . ?
N1A C12A 1.438(3) . ?
N1A C18A 1.458(3) . ?
N1A C17A 1.472(3) . ?
N2A C22A 1.439(4) . ?
N2A C28A 1.459(4) . ?
N2A C27A 1.461(4) . ?
N3A C32A 1.440(4) . ?
N3A C37A 1.462(4) . ?
N3A C38A 1.468(4) . ?
N4A C42A 1.443(3) . ?
N4A C48A 1.457(4) . ?
N4A C47A 1.466(4) . ?
C11A C12A 1.390(3) . ?
C11A C16A 1.394(4) . ?
C12A C13A 1.401(4) . ?
C13A C14A 1.373(4) . ?
C14A C15A 1.382(4) . ?
C15A C16A 1.375(4) . ?
C21A C26A 1.387(4) . ?
C21A C22A 1.403(4) . ?
C22A C23A 1.398(4) . ?
C23A C24A 1.382(5) . ?
C24A C25A 1.372(5) . ?
C25A C26A 1.397(4) . ?
C31A C36A 1.402(4) . ?
C31A C32A 1.403(3) . ?
C32A C33A 1.397(4) . ?
C33A C34A 1.384(4) . ?
C34A C35A 1.376(4) . ?
C35A C36A 1.378(4) . ?
C41A C46A 1.387(3) . ?
C41A C42A 1.400(3) . ?
C42A C43A 1.392(3) . ?
C43A C44A 1.389(4) . ?
C44A C45A 1.380(4) . ?
C45A C46A 1.389(3) . ?
C50A C54A 1.510(4) . ?
C51A C52A 1.413(4) . ?
C51A C56A 1.416(4) . ?
C51A C57A 1.514(4) . ?
C52A C53A 1.414(4) . ?
C53A C54A 1.411(4) . ?
C54A C55A 1.429(4) . ?
C55A C56A 1.405(4) . ?
C57A C59A 1.521(4) . ?
C57A C58A 1.521(4) . ?
RuB C55B 2.172(3) . ?
RuB C53B 2.238(3) . ?
RuB C56B 2.248(3) . ?
RuB C54B 2.260(3) . ?
RuB C52B 2.266(3) . ?
RuB C51B 2.304(3) . ?
RuB P2B 2.3319(6) . ?
RuB P1B 2.3851(7) . ?
RuB Cl1B 2.3928(6) . ?
P1B C11B 1.823(3) . ?
P1B C21B 1.824(3) . ?
P1B C10B 1.839(2) . ?
P2B C41B 1.819(2) . ?
P2B C10B 1.826(2) . ?
P2B C31B 1.827(3) . ?
N1B C12B 1.439(3) . ?
N1B C17B 1.456(4) . ?
N1B C18B 1.460(4) . ?
N2B C22B 1.442(4) . ?
N2B C27B 1.454(4) . ?
N2B C28B 1.461(4) . ?
N3B C32B 1.428(4) . ?
N3B C37B 1.476(4) . ?
N3B C38B 1.481(4) . ?
N4B C42B 1.442(3) . ?
N4B C47B 1.464(4) . ?
N4B C48B 1.469(4) . ?
C11B C12B 1.384(3) . ?
C11B C16B 1.394(4) . ?
C12B C13B 1.391(4) . ?
C13B C14B 1.380(4) . ?
C14B C15B 1.376(4) . ?
C15B C16B 1.379(4) . ?
C21B C26B 1.398(4) . ?
C21B C22B 1.400(4) . ?
C22B C23B 1.406(5) . ?
C23B C24B 1.384(6) . ?
C24B C25B 1.380(6) . ?
C25B C26B 1.380(4) . ?
C31B C36B 1.385(4) . ?
C31B C32B 1.410(4) . ?
C32B C33B 1.403(4) . ?
C33B C34B 1.358(6) . ?
C34B C35B 1.378(6) . ?
C35B C36B 1.392(4) . ?
C41B C46B 1.391(4) . ?
C41B C42B 1.393(3) . ?
C42B C43B 1.394(4) . ?
C43B C44B 1.380(4) . ?
C44B C45B 1.378(4) . ?
C45B C46B 1.390(4) . ?
C50B C54B 1.500(4) . ?
C51B C56B 1.403(4) . ?
C51B C52B 1.413(4) . ?
C51B C57B 1.516(4) . ?
C52B C53B 1.401(4) . ?
C53B C54B 1.402(4) . ?
C54B C55B 1.421(4) . ?
C55B C56B 1.414(4) . ?
C57B C59B 1.510(5) . ?
C57B C58B 1.533(5) . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C55A RuA P1A C11A -157.58(14) . . . . ?
C53A RuA P1A C11A -90.29(11) . . . . ?
C56A RuA P1A C11A 171(100) . . . . ?
C54A RuA P1A C11A -127.26(12) . . . . ?
C52A RuA P1A C11A -54.04(12) . . . . ?
C51A RuA P1A C11A -25.14(15) . . . . ?
P2A RuA P1A C11A 130.98(9) . . . . ?
Cl1A RuA P1A C11A 44.24(9) . . . . ?
C55A RuA P1A C21A -17.64(15) . . . . ?
C53A RuA P1A C21A 49.65(12) . . . . ?
C56A RuA P1A C21A -49(4) . . . . ?
C54A RuA P1A C21A 12.67(12) . . . . ?
C52A RuA P1A C21A 85.89(12) . . . . ?
C51A RuA P1A C21A 114.79(14) . . . . ?
P2A RuA P1A C21A -89.09(10) . . . . ?
Cl1A RuA P1A C21A -175.82(10) . . . . ?
C55A RuA P1A C10A 89.94(14) . . . . ?
C53A RuA P1A C10A 157.23(10) . . . . ?
C56A RuA P1A C10A 59(4) . . . . ?
C54A RuA P1A C10A 120.25(11) . . . . ?
C52A RuA P1A C10A -166.53(11) . . . . ?
C51A RuA P1A C10A -137.63(14) . . . . ?
P2A RuA P1A C10A 18.49(8) . . . . ?
Cl1A RuA P1A C10A -68.24(8) . . . . ?
C55A RuA P2A C41A 85.14(11) . . . . ?
C53A RuA P2A C41A 142.62(13) . . . . ?
C56A RuA P2A C41A 50.18(11) . . . . ?
C54A RuA P2A C41A 120.89(11) . . . . ?
C52A RuA P2A C41A 83.7(5) . . . . ?
C51A RuA P2A C41A 28.17(14) . . . . ?
P1A RuA P2A C41A -130.51(9) . . . . ?
Cl1A RuA P2A C41A -49.34(9) . . . . ?
C55A RuA P2A C31A -49.53(12) . . . . ?
C53A RuA P2A C31A 7.95(14) . . . . ?
C56A RuA P2A C31A -84.49(12) . . . . ?
C54A RuA P2A C31A -13.78(12) . . . . ?
C52A RuA P2A C31A -51.0(5) . . . . ?
C51A RuA P2A C31A -106.50(14) . . . . ?
P1A RuA P2A C31A 94.82(10) . . . . ?
Cl1A RuA P2A C31A 175.99(10) . . . . ?
C55A RuA P2A C10A -162.99(11) . . . . ?
C53A RuA P2A C10A -105.51(13) . . . . ?
C56A RuA P2A C10A 162.05(11) . . . . ?
C54A RuA P2A C10A -127.23(11) . . . . ?
C52A RuA P2A C10A -164.5(5) . . . . ?
C51A RuA P2A C10A 140.05(13) . . . . ?
P1A RuA P2A C10A -18.63(8) . . . . ?
Cl1A RuA P2A C10A 62.53(8) . . . . ?
C41A P2A C10A P1A 143.64(11) . . . . ?
C31A P2A C10A P1A -102.99(12) . . . . ?
RuA P2A C10A P1A 22.99(9) . . . . ?
C11A P1A C10A P2A -145.34(11) . . . . ?
C21A P1A C10A P2A 101.76(12) . . . . ?
RuA P1A C10A P2A -22.48(9) . . . . ?
C21A P1A C11A C12A -68.8(2) . . . . ?
C10A P1A C11A C12A -179.8(2) . . . . ?
RuA P1A C11A C12A 76.8(2) . . . . ?
C21A P1A C11A C16A 111.2(2) . . . . ?
C10A P1A C11A C16A 0.3(3) . . . . ?
RuA P1A C11A C16A -103.2(2) . . . . ?
C16A C11A C12A C13A 0.2(4) . . . . ?
P1A C11A C12A C13A -179.8(2) . . . . ?
C16A C11A C12A N1A -179.3(2) . . . . ?
P1A C11A C12A N1A 0.8(3) . . . . ?
C18A N1A C12A C11A -128.2(3) . . . . ?
C17A N1A C12A C11A 107.4(3) . . . . ?
C18A N1A C12A C13A 52.4(3) . . . . ?
C17A N1A C12A C13A -72.1(3) . . . . ?
C11A C12A C13A C14A 0.0(4) . . . . ?
N1A C12A C13A C14A 179.5(3) . . . . ?
C12A C13A C14A C15A 0.7(5) . . . . ?
C13A C14A C15A C16A -1.6(5) . . . . ?
C14A C15A C16A C11A 1.9(5) . . . . ?
C12A C11A C16A C15A -1.2(4) . . . . ?
P1A C11A C16A C15A 178.8(2) . . . . ?
C11A P1A C21A C26A 115.2(2) . . . . ?
C10A P1A C21A C26A -130.6(2) . . . . ?
RuA P1A C21A C26A -29.3(2) . . . . ?
C11A P1A C21A C22A -68.2(2) . . . . ?
C10A P1A C21A C22A 46.0(2) . . . . ?
RuA P1A C21A C22A 147.26(18) . . . . ?
C26A C21A C22A C23A 7.3(4) . . . . ?
P1A C21A C22A C23A -169.2(2) . . . . ?
C26A C21A C22A N2A -171.1(2) . . . . ?
P1A C21A C22A N2A 12.4(3) . . . . ?
C28A N2A C22A C23A -82.9(3) . . . . ?
C27A N2A C22A C23A 43.1(4) . . . . ?
C28A N2A C22A C21A 95.5(3) . . . . ?
C27A N2A C22A C21A -138.5(3) . . . . ?
C21A C22A C23A C24A -4.2(4) . . . . ?
N2A C22A C23A C24A 174.2(3) . . . . ?
C22A C23A C24A C25A -1.6(5) . . . . ?
C23A C24A C25A C26A 4.2(5) . . . . ?
C22A C21A C26A C25A -4.8(4) . . . . ?
P1A C21A C26A C25A 171.9(2) . . . . ?
C24A C25A C26A C21A -1.0(4) . . . . ?
C41A P2A C31A C36A 119.4(2) . . . . ?
C10A P2A C31A C36A 5.0(2) . . . . ?
RuA P2A C31A C36A -101.38(19) . . . . ?
C41A P2A C31A C32A -57.5(2) . . . . ?
C10A P2A C31A C32A -172.0(2) . . . . ?
RuA P2A C31A C32A 81.7(2) . . . . ?
C36A C31A C32A C33A -3.4(3) . . . . ?
P2A C31A C32A C33A 173.5(2) . . . . ?
C36A C31A C32A N3A 176.7(2) . . . . ?
P2A C31A C32A N3A -6.4(3) . . . . ?
C37A N3A C32A C33A -76.2(3) . . . . ?
C38A N3A C32A C33A 45.9(3) . . . . ?
C37A N3A C32A C31A 103.6(3) . . . . ?
C38A N3A C32A C31A -134.2(3) . . . . ?
C31A C32A C33A C34A 1.2(4) . . . . ?
N3A C32A C33A C34A -178.9(3) . . . . ?
C32A C33A C34A C35A 1.6(4) . . . . ?
C33A C34A C35A C36A -2.1(4) . . . . ?
C34A C35A C36A C31A -0.2(4) . . . . ?
C32A C31A C36A C35A 3.0(4) . . . . ?
P2A C31A C36A C35A -174.1(2) . . . . ?
C31A P2A C41A C46A 122.5(2) . . . . ?
C10A P2A C41A C46A -123.0(2) . . . . ?
RuA P2A C41A C46A -19.0(2) . . . . ?
C31A P2A C41A C42A -56.9(2) . . . . ?
C10A P2A C41A C42A 57.6(2) . . . . ?
RuA P2A C41A C42A 161.54(17) . . . . ?
C46A C41A C42A C43A -1.4(4) . . . . ?
P2A C41A C42A C43A 178.0(2) . . . . ?
C46A C41A C42A N4A 179.3(2) . . . . ?
P2A C41A C42A N4A -1.3(3) . . . . ?
C48A N4A C42A C43A 59.1(3) . . . . ?
C47A N4A C42A C43A -65.8(3) . . . . ?
C48A N4A C42A C41A -121.6(3) . . . . ?
C47A N4A C42A C41A 113.5(3) . . . . ?
C41A C42A C43A C44A 1.1(4) . . . . ?
N4A C42A C43A C44A -179.6(3) . . . . ?
C42A C43A C44A C45A 0.0(4) . . . . ?
C43A C44A C45A C46A -0.8(4) . . . . ?
C42A C41A C46A C45A 0.6(4) . . . . ?
P2A C41A C46A C45A -178.8(2) . . . . ?
C44A C45A C46A C41A 0.5(4) . . . . ?
C55A RuA C51A C52A 102.50(17) . . . . ?
C53A RuA C51A C52A 28.79(15) . . . . ?
C56A RuA C51A C52A 131.7(2) . . . . ?
C54A RuA C51A C52A 65.08(16) . . . . ?
P2A RuA C51A C52A 168.65(12) . . . . ?
P1A RuA C51A C52A -47.8(2) . . . . ?
Cl1A RuA C51A C52A -115.04(15) . . . . ?
C55A RuA C51A C56A -29.18(15) . . . . ?
C53A RuA C51A C56A -102.90(17) . . . . ?
C54A RuA C51A C56A -66.61(15) . . . . ?
C52A RuA C51A C56A -131.7(2) . . . . ?
P2A RuA C51A C56A 36.96(19) . . . . ?
P1A RuA C51A C56A -179.52(11) . . . . ?
Cl1A RuA C51A C56A 113.28(14) . . . . ?
C55A RuA C51A C57A -139.1(3) . . . . ?
C53A RuA C51A C57A 147.1(3) . . . . ?
C56A RuA C51A C57A -110.0(3) . . . . ?
C54A RuA C51A C57A -176.6(3) . . . . ?
C52A RuA C51A C57A 118.4(3) . . . . ?
P2A RuA C51A C57A -73.0(3) . . . . ?
P1A RuA C51A C57A 70.5(3) . . . . ?
Cl1A RuA C51A C57A 3.3(2) . . . . ?
C56A C51A C52A C53A -1.1(4) . . . . ?
C57A C51A C52A C53A -179.8(2) . . . . ?
RuA C51A C52A C53A -54.0(2) . . . . ?
C56A C51A C52A RuA 52.9(2) . . . . ?
C57A C51A C52A RuA -125.9(2) . . . . ?
C55A RuA C52A C51A -65.95(16) . . . . ?
C53A RuA C52A C51A -132.6(2) . . . . ?
C56A RuA C52A C51A -29.16(15) . . . . ?
C54A RuA C52A C51A -103.58(17) . . . . ?
P2A RuA C52A C51A -64.5(5) . . . . ?
P1A RuA C52A C51A 151.62(13) . . . . ?
Cl1A RuA C52A C51A 67.60(15) . . . . ?
C55A RuA C52A C53A 66.61(16) . . . . ?
C56A RuA C52A C53A 103.40(17) . . . . ?
C54A RuA C52A C53A 28.98(15) . . . . ?
C51A RuA C52A C53A 132.6(2) . . . . ?
P2A RuA C52A C53A 68.1(5) . . . . ?
P1A RuA C52A C53A -75.81(15) . . . . ?
Cl1A RuA C52A C53A -159.84(14) . . . . ?
C51A C52A C53A C54A -0.7(4) . . . . ?
RuA C52A C53A C54A -55.9(2) . . . . ?
C51A C52A C53A RuA 55.1(2) . . . . ?
C55A RuA C53A C54A 30.37(15) . . . . ?
C56A RuA C53A C54A 67.47(16) . . . . ?
C52A RuA C53A C54A 132.1(2) . . . . ?
C51A RuA C53A C54A 103.68(17) . . . . ?
P2A RuA C53A C54A -36.3(2) . . . . ?
P1A RuA C53A C54A -111.51(14) . . . . ?
Cl1A RuA C53A C54A 160.81(12) . . . . ?
C55A RuA C53A C52A -101.72(17) . . . . ?
C56A RuA C53A C52A -64.61(16) . . . . ?
C54A RuA C53A C52A -132.1(2) . . . . ?
C51A RuA C53A C52A -28.41(15) . . . . ?
P2A RuA C53A C52A -168.34(12) . . . . ?
P1A RuA C53A C52A 116.40(14) . . . . ?
Cl1A RuA C53A C52A 28.73(19) . . . . ?
C52A C53A C54A C55A 3.5(4) . . . . ?
RuA C53A C54A C55A -52.70(19) . . . . ?
C52A C53A C54A C50A -175.0(2) . . . . ?
RuA C53A C54A C50A 128.8(2) . . . . ?
C52A C53A C54A RuA 56.2(2) . . . . ?
C55A RuA C54A C53A -130.5(2) . . . . ?
C56A RuA C54A C53A -100.92(16) . . . . ?
C52A RuA C54A C53A -28.94(15) . . . . ?
C51A RuA C54A C53A -64.67(15) . . . . ?
P2A RuA C54A C53A 156.40(13) . . . . ?
P1A RuA C54A C53A 80.04(15) . . . . ?
Cl1A RuA C54A C53A -65.1(3) . . . . ?
C53A RuA C54A C55A 130.5(2) . . . . ?
C56A RuA C54A C55A 29.58(15) . . . . ?
C52A RuA C54A C55A 101.56(17) . . . . ?
C51A RuA C54A C55A 65.82(16) . . . . ?
P2A RuA C54A C55A -73.10(15) . . . . ?
P1A RuA C54A C55A -149.47(13) . . . . ?
Cl1A RuA C54A C55A 65.4(3) . . . . ?
C55A RuA C54A C50A 111.5(3) . . . . ?
C53A RuA C54A C50A -118.0(3) . . . . ?
C56A RuA C54A C50A 141.1(3) . . . . ?
C52A RuA C54A C50A -146.9(3) . . . . ?
C51A RuA C54A C50A 177.4(3) . . . . ?
P2A RuA C54A C50A 38.4(3) . . . . ?
P1A RuA C54A C50A -37.9(3) . . . . ?
Cl1A RuA C54A C50A 176.93(18) . . . . ?
C53A C54A C55A C56A -4.6(4) . . . . ?
C50A C54A C55A C56A 173.9(2) . . . . ?
RuA C54A C55A C56A -58.5(2) . . . . ?
C53A C54A C55A RuA 53.9(2) . . . . ?
C50A C54A C55A RuA -127.5(2) . . . . ?
C53A RuA C55A C56A 101.33(16) . . . . ?
C54A RuA C55A C56A 131.0(2) . . . . ?
C52A RuA C55A C56A 64.70(15) . . . . ?
C51A RuA C55A C56A 28.70(14) . . . . ?
P2A RuA C55A C56A -115.09(14) . . . . ?
P1A RuA C55A C56A -179.14(11) . . . . ?
Cl1A RuA C55A C56A -30.05(18) . . . . ?
C53A RuA C55A C54A -29.67(15) . . . . ?
C56A RuA C55A C54A -131.0(2) . . . . ?
C52A RuA C55A C54A -66.31(15) . . . . ?
C51A RuA C55A C54A -102.30(16) . . . . ?
P2A RuA C55A C54A 113.91(14) . . . . ?
P1A RuA C55A C54A 49.9(2) . . . . ?
Cl1A RuA C55A C54A -161.05(12) . . . . ?
C54A C55A C56A C51A 3.0(4) . . . . ?
RuA C55A C56A C51A -55.6(2) . . . . ?
C54A C55A C56A RuA 58.5(2) . . . . ?
C52A C51A C56A C55A 0.0(4) . . . . ?
C57A C51A C56A C55A 178.8(2) . . . . ?
RuA C51A C56A C55A 53.4(2) . . . . ?
C52A C51A C56A RuA -53.4(2) . . . . ?
C57A C51A C56A RuA 125.4(2) . . . . ?
C53A RuA C56A C55A -66.82(15) . . . . ?
C54A RuA C56A C55A -30.00(15) . . . . ?
C52A RuA C56A C55A -103.18(16) . . . . ?
C51A RuA C56A C55A -132.1(2) . . . . ?
P2A RuA C56A C55A 71.91(14) . . . . ?
P1A RuA C56A C55A 32(4) . . . . ?
Cl1A RuA C56A C55A 158.71(13) . . . . ?
C55A RuA C56A C51A 132.1(2) . . . . ?
C53A RuA C56A C51A 65.32(15) . . . . ?
C54A RuA C56A C51A 102.14(16) . . . . ?
C52A RuA C56A C51A 28.95(14) . . . . ?
P2A RuA C56A C51A -155.95(13) . . . . ?
P1A RuA C56A C51A 164(8) . . . . ?
Cl1A RuA C56A C51A -69.15(14) . . . . ?
C52A C51A C57A C59A 22.3(4) . . . . ?
C56A C51A C57A C59A -156.4(2) . . . . ?
RuA C51A C57A C59A -70.2(3) . . . . ?
C52A C51A C57A C58A -103.5(3) . . . . ?
C56A C51A C57A C58A 77.8(3) . . . . ?
RuA C51A C57A C58A 163.9(2) . . . . ?
C55B RuB P1B C11B -160.13(15) . . . . ?
C53B RuB P1B C11B -92.09(13) . . . . ?
C56B RuB P1B C11B 174.0(7) . . . . ?
C54B RuB P1B C11B -129.28(13) . . . . ?
C52B RuB P1B C11B -57.06(13) . . . . ?
C51B RuB P1B C11B -29.52(17) . . . . ?
P2B RuB P1B C11B 125.53(10) . . . . ?
Cl1B RuB P1B C11B 38.03(10) . . . . ?
C55B RuB P1B C21B -21.51(16) . . . . ?
C53B RuB P1B C21B 46.53(13) . . . . ?
C56B RuB P1B C21B -47.4(7) . . . . ?
C54B RuB P1B C21B 9.33(13) . . . . ?
C52B RuB P1B C21B 81.55(13) . . . . ?
C51B RuB P1B C21B 109.10(17) . . . . ?
P2B RuB P1B C21B -95.86(10) . . . . ?
Cl1B RuB P1B C21B 176.64(10) . . . . ?
C55B RuB P1B C10B 89.39(14) . . . . ?
C53B RuB P1B C10B 157.43(12) . . . . ?
C56B RuB P1B C10B 63.5(7) . . . . ?
C54B RuB P1B C10B 120.23(12) . . . . ?
C52B RuB P1B C10B -167.55(12) . . . . ?
C51B RuB P1B C10B -140.01(16) . . . . ?
P2B RuB P1B C10B 15.04(9) . . . . ?
Cl1B RuB P1B C10B -72.46(9) . . . . ?
C55B RuB P2B C41B 94.02(13) . . . . ?
C53B RuB P2B C41B 147.08(15) . . . . ?
C56B RuB P2B C41B 57.91(12) . . . . ?
C54B RuB P2B C41B 128.47(12) . . . . ?
C52B RuB P2B C41B 66.2(4) . . . . ?
C51B RuB P2B C41B 35.73(14) . . . . ?
P1B RuB P2B C41B -126.48(10) . . . . ?
Cl1B RuB P2B C41B -45.12(10) . . . . ?
C55B RuB P2B C10B -154.68(12) . . . . ?
C53B RuB P2B C10B -101.62(15) . . . . ?
C56B RuB P2B C10B 169.21(11) . . . . ?
C54B RuB P2B C10B -120.23(12) . . . . ?
C52B RuB P2B C10B 177.5(4) . . . . ?
C51B RuB P2B C10B 147.03(13) . . . . ?
P1B RuB P2B C10B -15.19(9) . . . . ?
Cl1B RuB P2B C10B 66.18(9) . . . . ?
C55B RuB P2B C31B -40.76(13) . . . . ?
C53B RuB P2B C31B 12.30(17) . . . . ?
C56B RuB P2B C31B -76.87(13) . . . . ?
C54B RuB P2B C31B -6.31(13) . . . . ?
C52B RuB P2B C31B -68.6(4) . . . . ?
C51B RuB P2B C31B -99.06(15) . . . . ?
P1B RuB P2B C31B 98.73(11) . . . . ?
Cl1B RuB P2B C31B -179.91(11) . . . . ?
C41B P2B C10B P1B 141.10(12) . . . . ?
C31B P2B C10B P1B -106.26(12) . . . . ?
RuB P2B C10B P1B 18.95(11) . . . . ?
C11B P1B C10B P2B -143.69(12) . . . . ?
C21B P1B C10B P2B 106.21(13) . . . . ?
RuB P1B C10B P2B -18.47(10) . . . . ?
C21B P1B C11B C12B -60.2(2) . . . . ?
C10B P1B C11B C12B -172.0(2) . . . . ?
RuB P1B C11B C12B 84.7(2) . . . . ?
C21B P1B C11B C16B 114.4(3) . . . . ?
C10B P1B C11B C16B 2.5(3) . . . . ?
RuB P1B C11B C16B -100.7(2) . . . . ?
C16B C11B C12B C13B -2.9(4) . . . . ?
P1B C11B C12B C13B 171.9(2) . . . . ?
C16B C11B C12B N1B 177.1(3) . . . . ?
P1B C11B C12B N1B -8.1(3) . . . . ?
C17B N1B C12B C11B 126.0(3) . . . . ?
C18B N1B C12B C11B -108.4(3) . . . . ?
C17B N1B C12B C13B -54.1(4) . . . . ?
C18B N1B C12B C13B 71.6(3) . . . . ?
C11B C12B C13B C14B 3.0(5) . . . . ?
N1B C12B C13B C14B -177.0(3) . . . . ?
C12B C13B C14B C15B -0.5(5) . . . . ?
C13B C14B C15B C16B -1.9(5) . . . . ?
C14B C15B C16B C11B 2.0(5) . . . . ?
C12B C11B C16B C15B 0.4(5) . . . . ?
P1B C11B C16B C15B -174.1(2) . . . . ?
C11B P1B C21B C26B 111.9(2) . . . . ?
C10B P1B C21B C26B -136.6(2) . . . . ?
RuB P1B C21B C26B -33.3(2) . . . . ?
C11B P1B C21B C22B -65.7(2) . . . . ?
C10B P1B C21B C22B 45.8(3) . . . . ?
RuB P1B C21B C22B 149.1(2) . . . . ?
C26B C21B C22B C23B 6.0(4) . . . . ?
P1B C21B C22B C23B -176.4(2) . . . . ?
C26B C21B C22B N2B -171.7(3) . . . . ?
P1B C21B C22B N2B 5.9(4) . . . . ?
C27B N2B C22B C21B -133.0(3) . . . . ?
C28B N2B C22B C21B 101.9(3) . . . . ?
C27B N2B C22B C23B 49.4(4) . . . . ?
C28B N2B C22B C23B -75.7(4) . . . . ?
C21B C22B C23B C24B -3.8(5) . . . . ?
N2B C22B C23B C24B 173.8(3) . . . . ?
C22B C23B C24B C25B -0.9(6) . . . . ?
C23B C24B C25B C26B 3.3(5) . . . . ?
C24B C25B C26B C21B -1.0(5) . . . . ?
C22B C21B C26B C25B -3.6(4) . . . . ?
P1B C21B C26B C25B 178.6(2) . . . . ?
C41B P2B C31B C36B 121.8(2) . . . . ?
C10B P2B C31B C36B 8.6(2) . . . . ?
RuB P2B C31B C36B -98.1(2) . . . . ?
C41B P2B C31B C32B -56.8(2) . . . . ?
C10B P2B C31B C32B -170.0(2) . . . . ?
RuB P2B C31B C32B 83.2(2) . . . . ?
C36B C31B C32B C33B -2.3(4) . . . . ?
P2B C31B C32B C33B 176.4(2) . . . . ?
C36B C31B C32B N3B 179.2(3) . . . . ?
P2B C31B C32B N3B -2.2(4) . . . . ?
C37B N3B C32B C33B -75.7(4) . . . . ?
C38B N3B C32B C33B 46.3(4) . . . . ?
C37B N3B C32B C31B 102.8(3) . . . . ?
C38B N3B C32B C31B -135.3(3) . . . . ?
C31B C32B C33B C34B 0.1(5) . . . . ?
N3B C32B C33B C34B 178.6(3) . . . . ?
C32B C33B C34B C35B 1.9(5) . . . . ?
C33B C34B C35B C36B -1.8(5) . . . . ?
C32B C31B C36B C35B 2.5(4) . . . . ?
P2B C31B C36B C35B -176.2(2) . . . . ?
C34B C35B C36B C31B -0.4(5) . . . . ?
C10B P2B C41B C46B -129.1(2) . . . . ?
C31B P2B C41B C46B 116.6(2) . . . . ?
RuB P2B C41B C46B -24.6(2) . . . . ?
C10B P2B C41B C42B 54.5(2) . . . . ?
C31B P2B C41B C42B -59.8(2) . . . . ?
RuB P2B C41B C42B 158.97(18) . . . . ?
C46B C41B C42B C43B -0.9(4) . . . . ?
P2B C41B C42B C43B 175.5(2) . . . . ?
C46B C41B C42B N4B 179.7(2) . . . . ?
P2B C41B C42B N4B -3.9(3) . . . . ?
C47B N4B C42B C41B 117.5(3) . . . . ?
C48B N4B C42B C41B -117.2(3) . . . . ?
C47B N4B C42B C43B -61.9(3) . . . . ?
C48B N4B C42B C43B 63.4(3) . . . . ?
C41B C42B C43B C44B -0.1(5) . . . . ?
N4B C42B C43B C44B 179.3(3) . . . . ?
C42B C43B C44B C45B 1.0(5) . . . . ?
C43B C44B C45B C46B -0.9(5) . . . . ?
C44B C45B C46B C41B -0.2(4) . . . . ?
C42B C41B C46B C45B 1.0(4) . . . . ?
P2B C41B C46B C45B -175.4(2) . . . . ?
C55B RuB C51B C56B -30.29(16) . . . . ?
C53B RuB C51B C56B -103.74(18) . . . . ?
C54B RuB C51B C56B -67.62(17) . . . . ?
C52B RuB C51B C56B -132.5(2) . . . . ?
P2B RuB C51B C56B 38.6(2) . . . . ?
P1B RuB C51B C56B -176.14(13) . . . . ?
Cl1B RuB C51B C56B 118.19(15) . . . . ?
C55B RuB C51B C52B 102.21(18) . . . . ?
C53B RuB C51B C52B 28.76(16) . . . . ?
C56B RuB C51B C52B 132.5(2) . . . . ?
C54B RuB C51B C52B 64.88(17) . . . . ?
P2B RuB C51B C52B 171.05(13) . . . . ?
P1B RuB C51B C52B -43.6(2) . . . . ?
Cl1B RuB C51B C52B -109.31(16) . . . . ?
C55B RuB C51B C57B -140.5(3) . . . . ?
C53B RuB C51B C57B 146.1(3) . . . . ?
C56B RuB C51B C57B -110.2(3) . . . . ?
C54B RuB C51B C57B -177.8(3) . . . . ?
C52B RuB C51B C57B 117.3(3) . . . . ?
P2B RuB C51B C57B -71.6(3) . . . . ?
P1B RuB C51B C57B 73.7(3) . . . . ?
Cl1B RuB C51B C57B 8.0(3) . . . . ?
C56B C51B C52B C53B -2.3(4) . . . . ?
C57B C51B C52B C53B 178.5(3) . . . . ?
RuB C51B C52B C53B -54.6(2) . . . . ?
C56B C51B C52B RuB 52.3(2) . . . . ?
C57B C51B C52B RuB -126.9(3) . . . . ?
C55B RuB C52B C53B 66.48(17) . . . . ?
C56B RuB C52B C53B 103.86(18) . . . . ?
C54B RuB C52B C53B 28.90(16) . . . . ?
C51B RuB C52B C53B 132.3(2) . . . . ?
P2B RuB C52B C53B 95.0(4) . . . . ?
P1B RuB C52B C53B -71.26(17) . . . . ?
Cl1B RuB C52B C53B -154.92(15) . . . . ?
C55B RuB C52B C51B -65.85(17) . . . . ?
C53B RuB C52B C51B -132.3(2) . . . . ?
C56B RuB C52B C51B -28.47(16) . . . . ?
C54B RuB C52B C51B -103.42(18) . . . . ?
P2B RuB C52B C51B -37.4(5) . . . . ?
P1B RuB C52B C51B 156.41(14) . . . . ?
Cl1B RuB C52B C51B 72.75(16) . . . . ?
C51B C52B C53B C54B -0.6(4) . . . . ?
RuB C52B C53B C54B -56.4(2) . . . . ?
C51B C52B C53B RuB 55.8(2) . . . . ?
C55B RuB C53B C52B -101.57(19) . . . . ?
C56B RuB C53B C52B -64.21(17) . . . . ?
C54B RuB C53B C52B -132.1(3) . . . . ?
C51B RuB C53B C52B -28.59(16) . . . . ?
P2B RuB C53B C52B -162.49(13) . . . . ?
P1B RuB C53B C52B 121.59(15) . . . . ?
Cl1B RuB C53B C52B 33.7(2) . . . . ?
C55B RuB C53B C54B 30.50(17) . . . . ?
C56B RuB C53B C54B 67.86(17) . . . . ?
C52B RuB C53B C54B 132.1(3) . . . . ?
C51B RuB C53B C54B 103.48(19) . . . . ?
P2B RuB C53B C54B -30.4(2) . . . . ?
P1B RuB C53B C54B -106.33(16) . . . . ?
Cl1B RuB C53B C54B 165.79(13) . . . . ?
C52B C53B C54B C55B 4.3(4) . . . . ?
RuB C53B C54B C55B -52.2(2) . . . . ?
C52B C53B C54B C50B -172.3(3) . . . . ?
RuB C53B C54B C50B 131.1(3) . . . . ?
C52B C53B C54B RuB 56.5(2) . . . . ?
C55B RuB C54B C53B -130.2(3) . . . . ?
C56B RuB C54B C53B -100.68(18) . . . . ?
C52B RuB C54B C53B -28.83(16) . . . . ?
C51B RuB C54B C53B -64.65(17) . . . . ?
P2B RuB C54B C53B 161.26(15) . . . . ?
P1B RuB C54B C53B 84.49(16) . . . . ?
Cl1B RuB C54B C53B -42.8(4) . . . . ?
C53B RuB C54B C55B 130.2(3) . . . . ?
C56B RuB C54B C55B 29.52(17) . . . . ?
C52B RuB C54B C55B 101.36(19) . . . . ?
C51B RuB C54B C55B 65.55(17) . . . . ?
P2B RuB C54B C55B -68.54(17) . . . . ?
P1B RuB C54B C55B -145.32(15) . . . . ?
Cl1B RuB C54B C55B 87.4(3) . . . . ?
C55B RuB C54B C50B 111.7(4) . . . . ?
C53B RuB C54B C50B -118.1(4) . . . . ?
C56B RuB C54B C50B 141.2(4) . . . . ?
C52B RuB C54B C50B -146.9(4) . . . . ?
C51B RuB C54B C50B 177.3(3) . . . . ?
P2B RuB C54B C50B 43.2(3) . . . . ?
P1B RuB C54B C50B -33.6(3) . . . . ?
Cl1B RuB C54B C50B -160.9(2) . . . . ?
C53B C54B C55B C56B -5.6(4) . . . . ?
C50B C54B C55B C56B 171.2(3) . . . . ?
RuB C54B C55B C56B -59.2(2) . . . . ?
C53B C54B C55B RuB 53.7(2) . . . . ?
C50B C54B C55B RuB -129.6(3) . . . . ?
C53B RuB C55B C56B 101.73(18) . . . . ?
C54B RuB C55B C56B 131.5(2) . . . . ?
C52B RuB C55B C56B 65.30(16) . . . . ?
C51B RuB C55B C56B 29.20(15) . . . . ?
P2B RuB C55B C56B -109.75(15) . . . . ?
P1B RuB C55B C56B -175.90(12) . . . . ?
Cl1B RuB C55B C56B -23.9(2) . . . . ?
C53B RuB C55B C54B -29.72(16) . . . . ?
C56B RuB C55B C54B -131.5(2) . . . . ?
C52B RuB C55B C54B -66.15(17) . . . . ?
C51B RuB C55B C54B -102.25(18) . . . . ?
P2B RuB C55B C54B 118.79(16) . . . . ?
P1B RuB C55B C54B 52.6(2) . . . . ?
Cl1B RuB C55B C54B -155.40(14) . . . . ?
C52B C51B C56B C55B 1.1(4) . . . . ?
C57B C51B C56B C55B -179.6(2) . . . . ?
RuB C51B C56B C55B 53.7(2) . . . . ?
C52B C51B C56B RuB -52.6(2) . . . . ?
C57B C51B C56B RuB 126.7(2) . . . . ?
C54B C55B C56B C51B 2.9(4) . . . . ?
RuB C55B C56B C51B -56.5(2) . . . . ?
C54B C55B C56B RuB 59.4(2) . . . . ?
C55B RuB C56B C51B 130.7(2) . . . . ?
C53B RuB C56B C51B 64.55(17) . . . . ?
C54B RuB C56B C51B 101.11(18) . . . . ?
C52B RuB C56B C51B 28.58(16) . . . . ?
P2B RuB C56B C51B -153.07(14) . . . . ?
P1B RuB C56B C51B 159.7(6) . . . . ?
Cl1B RuB C56B C51B -65.15(16) . . . . ?
C53B RuB C56B C55B -66.15(17) . . . . ?
C54B RuB C56B C55B -29.58(16) . . . . ?
C52B RuB C56B C55B -102.12(17) . . . . ?
C51B RuB C56B C55B -130.7(2) . . . . ?
P2B RuB C56B C55B 76.24(16) . . . . ?
P1B RuB C56B C55B 29.1(8) . . . . ?
Cl1B RuB C56B C55B 164.15(14) . . . . ?
C56B C51B C57B C59B -162.6(3) . . . . ?
C52B C51B C57B C59B 16.6(4) . . . . ?
RuB C51B C57B C59B -75.6(3) . . . . ?
C56B C51B C57B C58B 71.4(4) . . . . ?
C52B C51B C57B C58B -109.4(4) . . . . ?
RuB C51B C57B C58B 158.4(3) . . . . ?
