#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/51/7005122.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_7005122
loop_
_publ_author_name
'Braun, Leonie'
'Liptau, Patrick'
'Kehr, Gerald'
'Ugolotti, Juri'
'Fröhlich, Roland'
'Erker, Gerhard'
_publ_section_title
;
 Bis(diphenylphosphino)acetonitrile: synthesis, ligand properties and
 application in catalytic carbon-carbon coupling.
;
_journal_issue                   14
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              1409
_journal_page_last               1415
_journal_paper_doi               10.1039/b616847g
_journal_year                    2007
_chemical_formula_sum            'C38 H40 Cl N O0.5 P2 Ru'
_chemical_formula_weight         717.17
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                95.98(1)
_cell_angle_beta                 103.71(1)
_cell_angle_gamma                104.75(1)
_cell_formula_units_Z            4
_cell_length_a                   10.500(1)
_cell_length_b                   16.922(1)
_cell_length_c                   20.542(1)
_cell_measurement_reflns_used    9679
_cell_measurement_temperature    198(2)
_cell_measurement_theta_max      28.28
_cell_measurement_theta_min      0.41
_cell_volume                     3376.1(5)
_computing_cell_refinement       'Collect (Nonius B.V., 1998)'
_computing_data_collection       'collect (Nonius B.V., 1998)'
_computing_data_reduction        'Denzo-SMN (Otwinowski & Minor, 1997)'
_computing_molecular_graphics    'SCHAKAL (Keller, 1997)'
_computing_publication_material  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      198(2)
_diffrn_measured_fraction_theta_full 0.963
_diffrn_measured_fraction_theta_max 0.963
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'ω and φ scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'rotating anode Nonius FR591'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.051
_diffrn_reflns_av_sigmaI/netI    0.0706
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            36224
_diffrn_reflns_theta_full        28.23
_diffrn_reflns_theta_max         28.23
_diffrn_reflns_theta_min         1.49
_exptl_absorpt_coefficient_mu    0.668
_exptl_absorpt_correction_T_max  0.9065
_exptl_absorpt_correction_T_min  0.7999
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'Denzo (Otwinowski, Borek, Majewski & Minor, 2003)'
_exptl_crystal_colour            yellow-orange
_exptl_crystal_density_diffrn    1.411
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       column
_exptl_crystal_F_000             1480
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         1.056
_refine_diff_density_min         -0.885
_refine_diff_density_rms         0.108
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.041
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     794
_refine_ls_number_reflns         16058
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.041
_refine_ls_R_factor_all          0.0837
_refine_ls_R_factor_gt           0.0472
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0439P)²+3.2772P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0967
_refine_ls_wR_factor_ref         0.1094
_reflns_number_gt                11274
_reflns_number_total             16058
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b616847g.txt
_cod_data_source_block           erk3754
_cod_original_cell_volume        3376.1(4)
_cod_original_sg_symbol_H-M      P-1
_cod_original_formula_sum        'C38 H40 Cl N O0.50 P2 Ru'
_cod_database_code               7005122
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1A Ru 0.11316(2) 0.954533(15) 0.311881(13) 0.01640(7) Uani 1 1 d . . .
Cl1A Cl 0.01156(8) 0.80606(5) 0.29667(5) 0.02717(19) Uani 1 1 d . . .
P1A P 0.30915(8) 0.92548(5) 0.30533(4) 0.01755(17) Uani 1 1 d . . .
P2A P 0.10318(8) 0.92561(5) 0.19961(4) 0.01874(18) Uani 1 1 d . . .
C1A C 0.2391(3) 0.8708(2) 0.21475(17) 0.0219(7) Uani 1 1 d . . .
H1AA H 0.1908 0.8123 0.2167 0.026 Uiso 1 1 calc R . .
C2A C 0.3231(4) 0.8647(2) 0.16908(19) 0.0307(8) Uani 1 1 d . . .
N1A N 0.3903(4) 0.8606(3) 0.13301(19) 0.0550(10) Uani 1 1 d . . .
C11A C 0.3765(3) 0.85327(19) 0.35326(17) 0.0205(7) Uani 1 1 d . . .
C12A C 0.4792(3) 0.8231(2) 0.33855(18) 0.0251(8) Uani 1 1 d . . .
H12A H 0.5143 0.8387 0.3017 0.030 Uiso 1 1 calc R . .
C13A C 0.5309(4) 0.7706(2) 0.3770(2) 0.0322(9) Uani 1 1 d . . .
H13A H 0.6010 0.7499 0.3665 0.039 Uiso 1 1 calc R . .
C14A C 0.4807(4) 0.7480(2) 0.43101(19) 0.0333(9) Uani 1 1 d . . .
H14A H 0.5172 0.7123 0.4578 0.040 Uiso 1 1 calc R . .
C15A C 0.3783(4) 0.7772(2) 0.44586(19) 0.0311(8) Uani 1 1 d . . .
H15A H 0.3439 0.7616 0.4829 0.037 Uiso 1 1 calc R . .
C16A C 0.3255(3) 0.8292(2) 0.40694(18) 0.0256(8) Uani 1 1 d . . .
H16A H 0.2537 0.8486 0.4169 0.031 Uiso 1 1 calc R . .
C21A C 0.4648(3) 1.0077(2) 0.31357(17) 0.0205(7) Uani 1 1 d . . .
C22A C 0.4987(3) 1.0457(2) 0.26058(19) 0.0278(8) Uani 1 1 d . . .
H22A H 0.4445 1.0237 0.2151 0.033 Uiso 1 1 calc R . .
C23A C 0.6105(4) 1.1150(2) 0.2735(2) 0.0331(9) Uani 1 1 d . . .
H23A H 0.6330 1.1402 0.2369 0.040 Uiso 1 1 calc R . .
C24A C 0.6891(4) 1.1476(2) 0.3390(2) 0.0365(9) Uani 1 1 d . . .
H24A H 0.7643 1.1962 0.3478 0.044 Uiso 1 1 calc R . .
C25A C 0.6591(4) 1.1099(2) 0.3922(2) 0.0355(9) Uani 1 1 d . . .
H25A H 0.7148 1.1317 0.4375 0.043 Uiso 1 1 calc R . .
C26A C 0.5476(3) 1.0405(2) 0.37945(18) 0.0252(8) Uani 1 1 d . . .
H26A H 0.5272 1.0147 0.4162 0.030 Uiso 1 1 calc R . .
C31A C 0.1573(3) 1.0057(2) 0.15082(17) 0.0225(7) Uani 1 1 d . . .
C32A C 0.2194(3) 1.0859(2) 0.18553(19) 0.0283(8) Uani 1 1 d . . .
H32A H 0.2357 1.0971 0.2335 0.034 Uiso 1 1 calc R . .
C33A C 0.2583(4) 1.1501(2) 0.1515(2) 0.0351(9) Uani 1 1 d . . .
H33A H 0.3018 1.2049 0.1760 0.042 Uiso 1 1 calc R . .
C34A C 0.2339(4) 1.1343(3) 0.0819(2) 0.0393(10) Uani 1 1 d . . .
H34A H 0.2579 1.1786 0.0581 0.047 Uiso 1 1 calc R . .
C35A C 0.1752(4) 1.0549(3) 0.0471(2) 0.0444(11) Uani 1 1 d . . .
H35A H 0.1612 1.0442 -0.0008 0.053 Uiso 1 1 calc R . .
C36A C 0.1357(4) 0.9895(2) 0.08073(19) 0.0342(9) Uani 1 1 d . . .
H36A H 0.0944 0.9345 0.0561 0.041 Uiso 1 1 calc R . .
C41A C -0.0468(3) 0.8529(2) 0.13892(17) 0.0221(7) Uani 1 1 d . . .
C42A C -0.1729(4) 0.8664(2) 0.13643(18) 0.0303(8) Uani 1 1 d . . .
H42A H -0.1770 0.9133 0.1646 0.036 Uiso 1 1 calc R . .
C43A C -0.2920(3) 0.8126(2) 0.09376(19) 0.0330(9) Uani 1 1 d . . .
H43A H -0.3774 0.8225 0.0928 0.040 Uiso 1 1 calc R . .
C44A C -0.2874(4) 0.7447(2) 0.05247(19) 0.0355(9) Uani 1 1 d . . .
H44A H -0.3696 0.7076 0.0229 0.043 Uiso 1 1 calc R . .
C45A C -0.1637(4) 0.7304(2) 0.0540(2) 0.0367(9) Uani 1 1 d . . .
H45A H -0.1605 0.6832 0.0258 0.044 Uiso 1 1 calc R . .
C46A C -0.0440(4) 0.7845(2) 0.09658(19) 0.0323(8) Uani 1 1 d . . .
H46A H 0.0412 0.7746 0.0968 0.039 Uiso 1 1 calc R . .
C51A C 0.1671(3) 1.0326(2) 0.41415(17) 0.0252(8) Uani 1 1 d . . .
C52A C 0.0373(3) 0.9749(2) 0.40233(18) 0.0255(8) Uani 1 1 d . . .
C53A C -0.0548(3) 0.9890(2) 0.34379(18) 0.0235(7) Uani 1 1 d . . .
C54A C 0.0212(3) 1.0581(2) 0.32058(18) 0.0245(7) Uani 1 1 d . . .
C55A C 0.1596(3) 1.0833(2) 0.36284(18) 0.0241(7) Uani 1 1 d . . .
C56A C 0.2882(4) 1.0448(3) 0.4735(2) 0.0402(10) Uani 1 1 d . . .
H56A H 0.2784 1.0787 0.5127 0.060 Uiso 1 1 calc R . .
H56B H 0.3716 1.0731 0.4620 0.060 Uiso 1 1 calc R . .
H56C H 0.2941 0.9908 0.4847 0.060 Uiso 1 1 calc R . .
C57A C -0.0016(4) 0.9106(2) 0.4447(2) 0.0378(10) Uani 1 1 d . . .
H57A H -0.0713 0.9225 0.4653 0.057 Uiso 1 1 calc R . .
H57B H 0.0795 0.9117 0.4806 0.057 Uiso 1 1 calc R . .
H57C H -0.0384 0.8556 0.4158 0.057 Uiso 1 1 calc R . .
C58A C -0.2028(3) 0.9440(3) 0.3180(2) 0.0398(10) Uani 1 1 d . . .
H58A H -0.2502 0.9582 0.3513 0.060 Uiso 1 1 calc R . .
H58B H -0.2148 0.8840 0.3111 0.060 Uiso 1 1 calc R . .
H58C H -0.2410 0.9599 0.2747 0.060 Uiso 1 1 calc R . .
C59A C -0.0371(4) 1.1003(2) 0.2661(2) 0.0385(10) Uani 1 1 d . . .
H59A H -0.0553 1.1497 0.2866 0.058 Uiso 1 1 calc R . .
H59B H -0.1227 1.0623 0.2362 0.058 Uiso 1 1 calc R . .
H59C H 0.0283 1.1167 0.2394 0.058 Uiso 1 1 calc R . .
C60A C 0.2696(4) 1.1609(2) 0.3643(2) 0.0398(10) Uani 1 1 d . . .
H60A H 0.2897 1.1990 0.4072 0.060 Uiso 1 1 calc R . .
H60B H 0.2382 1.1877 0.3260 0.060 Uiso 1 1 calc R . .
H60C H 0.3527 1.1465 0.3607 0.060 Uiso 1 1 calc R . .
Ru1B Ru -0.05723(2) 0.421003(16) 0.222544(14) 0.02011(7) Uani 1 1 d . . .
Cl1B Cl -0.09238(9) 0.30602(5) 0.28286(5) 0.0307(2) Uani 1 1 d . . .
P1B P -0.24025(8) 0.34062(5) 0.13852(5) 0.02157(19) Uani 1 1 d . . .
P2B P -0.24961(8) 0.43725(5) 0.25062(4) 0.02041(18) Uani 1 1 d . . .
C1B C -0.3727(3) 0.3474(2) 0.18493(17) 0.0223(7) Uani 1 1 d . . .
H1BA H -0.3913 0.2976 0.2073 0.027 Uiso 1 1 calc R . .
C2B C -0.5021(3) 0.3549(2) 0.14642(18) 0.0250(8) Uani 1 1 d . . .
N1B N -0.6005(3) 0.3627(2) 0.11393(17) 0.0388(8) Uani 1 1 d . . .
C11B C -0.2976(3) 0.3735(2) 0.05742(18) 0.0249(8) Uani 1 1 d . . .
C12B C -0.3215(4) 0.3236(2) -0.00479(18) 0.0303(8) Uani 1 1 d . . .
H12B H -0.3112 0.2693 -0.0063 0.036 Uiso 1 1 calc R . .
C13B C -0.3602(4) 0.3528(3) -0.0645(2) 0.0377(9) Uani 1 1 d . . .
H13B H -0.3778 0.3181 -0.1070 0.045 Uiso 1 1 calc R . .
C14B C -0.3733(4) 0.4313(3) -0.0629(2) 0.0390(10) Uani 1 1 d . . .
H14B H -0.3995 0.4510 -0.1043 0.047 Uiso 1 1 calc R . .
C15B C -0.3487(4) 0.4818(2) -0.0017(2) 0.0350(9) Uani 1 1 d . . .
H15B H -0.3584 0.5362 -0.0006 0.042 Uiso 1 1 calc R . .
C16B C -0.3100(4) 0.4532(2) 0.05835(19) 0.0312(8) Uani 1 1 d . . .
H16B H -0.2917 0.4884 0.1007 0.037 Uiso 1 1 calc R . .
C21B C -0.2712(3) 0.2295(2) 0.11387(18) 0.0257(8) Uani 1 1 d . . .
C22B C -0.4034(4) 0.1751(2) 0.0937(2) 0.0379(9) Uani 1 1 d . . .
H22B H -0.4798 0.1961 0.0912 0.045 Uiso 1 1 calc R . .
C23B C -0.4236(5) 0.0904(2) 0.0773(2) 0.0466(11) Uani 1 1 d . . .
H23B H -0.5136 0.0533 0.0652 0.056 Uiso 1 1 calc R . .
C24B C -0.3138(5) 0.0604(3) 0.0785(2) 0.0493(11) Uani 1 1 d . . .
H24B H -0.3278 0.0025 0.0666 0.059 Uiso 1 1 calc R . .
C25B C -0.1840(5) 0.1136(3) 0.0969(2) 0.0495(12) Uani 1 1 d . . .
H25B H -0.1085 0.0924 0.0969 0.059 Uiso 1 1 calc R . .
C26B C -0.1620(4) 0.1978(2) 0.1154(2) 0.0364(9) Uani 1 1 d . . .
H26B H -0.0713 0.2340 0.1293 0.044 Uiso 1 1 calc R . .
C31B C -0.3220(3) 0.5240(2) 0.24106(17) 0.0220(7) Uani 1 1 d . . .
C32B C -0.2494(3) 0.5934(2) 0.22099(19) 0.0283(8) Uani 1 1 d . . .
H32B H -0.1657 0.5938 0.2107 0.034 Uiso 1 1 calc R . .
C33B C -0.2976(4) 0.6623(2) 0.2157(2) 0.0345(9) Uani 1 1 d . . .
H33B H -0.2469 0.7098 0.2023 0.041 Uiso 1 1 calc R . .
C34B C -0.4189(4) 0.6614(2) 0.23003(19) 0.0346(9) Uani 1 1 d . . .
H34B H -0.4523 0.7083 0.2264 0.041 Uiso 1 1 calc R . .
C35B C -0.4921(4) 0.5932(2) 0.2495(2) 0.0387(10) Uani 1 1 d . . .
H35B H -0.5766 0.5928 0.2589 0.046 Uiso 1 1 calc R . .
C36B C -0.4439(4) 0.5249(2) 0.25552(19) 0.0325(9) Uani 1 1 d . . .
H36B H -0.4947 0.4782 0.2697 0.039 Uiso 1 1 calc R . .
C41B C -0.2809(3) 0.4144(2) 0.33157(17) 0.0237(7) Uani 1 1 d . . .
C42B C -0.4013(4) 0.3635(2) 0.3378(2) 0.0388(10) Uani 1 1 d . . .
H42B H -0.4714 0.3335 0.2981 0.047 Uiso 1 1 calc R . .
C43B C -0.4212(5) 0.3557(3) 0.4011(2) 0.0517(12) Uani 1 1 d . . .
H43B H -0.5052 0.3211 0.4047 0.062 Uiso 1 1 calc R . .
C44B C -0.3207(5) 0.3974(3) 0.4587(2) 0.0502(12) Uani 1 1 d . . .
H44B H -0.3347 0.3925 0.5023 0.060 Uiso 1 1 calc R . .
C45B C -0.1998(5) 0.4462(3) 0.4529(2) 0.0548(12) Uani 1 1 d . . .
H45B H -0.1294 0.4753 0.4927 0.066 Uiso 1 1 calc R . .
C46B C -0.1791(4) 0.4538(3) 0.38957(19) 0.0394(10) Uani 1 1 d . . .
H46B H -0.0935 0.4866 0.3863 0.047 Uiso 1 1 calc R . .
C51B C 0.0704(4) 0.5251(2) 0.1884(2) 0.0350(9) Uani 1 1 d . . .
C52B C 0.0948(3) 0.4485(2) 0.1649(2) 0.0323(9) Uani 1 1 d . . .
C53B C 0.1493(3) 0.4164(2) 0.2222(2) 0.0293(8) Uani 1 1 d . . .
C54B C 0.1609(3) 0.4733(2) 0.2820(2) 0.0333(9) Uani 1 1 d . . .
C55B C 0.1138(3) 0.5397(2) 0.2607(2) 0.0361(10) Uani 1 1 d . . .
C56B C 0.0384(5) 0.5870(3) 0.1449(3) 0.0618(15) Uani 1 1 d . . .
H56D H 0.1200 0.6145 0.1315 0.093 Uiso 1 1 calc R . .
H56E H 0.0105 0.6286 0.1706 0.093 Uiso 1 1 calc R . .
H56F H -0.0361 0.5586 0.1041 0.093 Uiso 1 1 calc R . .
C57B C 0.0776(4) 0.4151(3) 0.0920(2) 0.0523(12) Uani 1 1 d . . .
H57D H 0.1615 0.4398 0.0794 0.078 Uiso 1 1 calc R . .
H57E H 0.0006 0.4289 0.0630 0.078 Uiso 1 1 calc R . .
H57F H 0.0595 0.3546 0.0858 0.078 Uiso 1 1 calc R . .
C58B C 0.1953(4) 0.3400(2) 0.2226(2) 0.0445(11) Uani 1 1 d . . .
H58D H 0.2935 0.3551 0.2456 0.067 Uiso 1 1 calc R . .
H58E H 0.1784 0.3125 0.1756 0.067 Uiso 1 1 calc R . .
H58F H 0.1444 0.3022 0.2468 0.067 Uiso 1 1 calc R . .
C59B C 0.2211(4) 0.4636(3) 0.3533(2) 0.0558(13) Uani 1 1 d . . .
H59D H 0.3206 0.4752 0.3621 0.084 Uiso 1 1 calc R . .
H59E H 0.1816 0.4067 0.3593 0.084 Uiso 1 1 calc R . .
H59F H 0.2007 0.5025 0.3852 0.084 Uiso 1 1 calc R . .
C60B C 0.1227(4) 0.6167(2) 0.3073(3) 0.0589(14) Uani 1 1 d . . .
H60D H 0.2134 0.6564 0.3160 0.088 Uiso 1 1 calc R . .
H60E H 0.1080 0.6021 0.3505 0.088 Uiso 1 1 calc R . .
H60F H 0.0524 0.6417 0.2860 0.088 Uiso 1 1 calc R . .
O71 O -0.1643(8) 0.6724(4) 0.4291(4) 0.185(3) Uani 1 1 d . . .
C72 C -0.0193(8) 0.6778(6) 0.4534(4) 0.120(3) Uani 1 1 d . . .
H72A H -0.0099 0.6220 0.4591 0.144 Uiso 1 1 calc R . .
H72B H 0.0278 0.6972 0.4191 0.144 Uiso 1 1 calc R . .
C73 C 0.0388(8) 0.7287(6) 0.5112(4) 0.145(4) Uani 1 1 d . . .
H73A H 0.0906 0.7829 0.5034 0.174 Uiso 1 1 calc R . .
H73B H 0.1037 0.7059 0.5413 0.174 Uiso 1 1 calc R . .
C74 C -0.0624(9) 0.7396(5) 0.5424(3) 0.111(3) Uani 1 1 d . . .
H74A H -0.0443 0.7994 0.5597 0.134 Uiso 1 1 calc R . .
H74B H -0.0588 0.7101 0.5816 0.134 Uiso 1 1 calc R . .
C75 C -0.1944(8) 0.7089(6) 0.4960(4) 0.118(3) Uani 1 1 d . . .
H75A H -0.2376 0.7540 0.4882 0.141 Uiso 1 1 calc R . .
H75B H -0.2547 0.6652 0.5126 0.141 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 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C55A Ru1A C53A 63.62(12) . . ?
C55A Ru1A C52A 62.73(12) . . ?
C53A Ru1A C52A 37.92(13) . . ?
C55A Ru1A C54A 37.91(13) . . ?
C53A Ru1A C54A 37.78(12) . . ?
C52A Ru1A C54A 62.64(12) . . ?
C55A Ru1A C51A 37.66(13) . . ?
C53A Ru1A C51A 63.02(12) . . ?
C52A Ru1A C51A 36.98(12) . . ?
C54A Ru1A C51A 62.70(13) . . ?
C55A Ru1A P1A 110.01(9) . . ?
C53A Ru1A P1A 166.74(10) . . ?
C52A Ru1A P1A 129.17(10) . . ?
C54A Ru1A P1A 142.76(9) . . ?
C51A Ru1A P1A 104.57(9) . . ?
C55A Ru1A P2A 120.55(9) . . ?
C53A Ru1A P2A 120.99(10) . . ?
C52A Ru1A P2A 157.66(10) . . ?
C54A Ru1A P2A 105.33(9) . . ?
C51A Ru1A P2A 156.69(9) . . ?
P1A Ru1A P2A 72.23(3) . . ?
C55A Ru1A Cl1A 153.83(9) . . ?
C53A Ru1A Cl1A 95.74(9) . . ?
C52A Ru1A Cl1A 91.11(9) . . ?
C54A Ru1A Cl1A 130.61(9) . . ?
C51A Ru1A Cl1A 119.96(9) . . ?
P1A Ru1A Cl1A 86.53(3) . . ?
P2A Ru1A Cl1A 83.22(3) . . ?
C21A P1A C11A 101.34(14) . . ?
C21A P1A C1A 109.27(15) . . ?
C11A P1A C1A 106.03(15) . . ?
C21A P1A Ru1A 121.19(10) . . ?
C11A P1A Ru1A 122.66(10) . . ?
C1A P1A Ru1A 94.88(10) . . ?
C21A P1A P2A 112.89(11) . . ?
C11A P1A P2A 140.22(11) . . ?
C1A P1A P2A 44.45(10) . . ?
Ru1A P1A P2A 54.14(3) . . ?
C41A P2A C31A 103.05(15) . . ?
C41A P2A C1A 106.39(15) . . ?
C31A P2A C1A 106.28(14) . . ?
C41A P2A Ru1A 121.42(11) . . ?
C31A P2A Ru1A 122.89(11) . . ?
C1A P2A Ru1A 94.31(11) . . ?
C41A P2A P1A 139.53(11) . . ?
C31A P2A P1A 111.41(11) . . ?
C1A P2A P1A 44.34(10) . . ?
Ru1A P2A P1A 53.64(3) . . ?
C2A C1A P1A 123.6(2) . . ?
C2A C1A P2A 123.0(3) . . ?
P1A C1A P2A 91.21(14) . . ?
N1A C2A C1A 179.4(4) . . ?
C12A C11A C16A 119.1(3) . . ?
C12A C11A P1A 121.8(2) . . ?
C16A C11A P1A 119.2(2) . . ?
C13A C12A C11A 120.4(3) . . ?
C12A C13A C14A 120.1(3) . . ?
C15A C14A C13A 120.1(3) . . ?
C14A C15A C16A 120.0(3) . . ?
C15A C16A C11A 120.5(3) . . ?
C26A C21A C22A 118.3(3) . . ?
C26A C21A P1A 116.2(2) . . ?
C22A C21A P1A 125.0(3) . . ?
C23A C22A C21A 120.6(3) . . ?
C24A C23A C22A 120.3(3) . . ?
C23A C24A C25A 120.0(3) . . ?
C24A C25A C26A 119.8(4) . . ?
C25A C26A C21A 120.9(3) . . ?
C32A C31A C36A 119.2(3) . . ?
C32A C31A P2A 117.8(3) . . ?
C36A C31A P2A 122.9(3) . . ?
C31A C32A C33A 120.9(3) . . ?
C34A C33A C32A 119.8(4) . . ?
C35A C34A C33A 119.9(4) . . ?
C34A C35A C36A 120.9(4) . . ?
C31A C36A C35A 119.2(4) . . ?
C46A C41A C42A 118.1(3) . . ?
C46A C41A P2A 124.6(3) . . ?
C42A C41A P2A 117.3(3) . . ?
C43A C42A C41A 121.0(3) . . ?
C44A C43A C42A 120.1(3) . . ?
C43A C44A C45A 119.8(3) . . ?
C44A C45A C46A 120.2(4) . . ?
C45A C46A C41A 120.8(3) . . ?
C52A C51A C55A 108.1(3) . . ?
C52A C51A C56A 126.4(3) . . ?
C55A C51A C56A 125.2(3) . . ?
C52A C51A Ru1A 71.14(19) . . ?
C55A C51A Ru1A 70.04(18) . . ?
C56A C51A Ru1A 129.0(2) . . ?
C51A C52A C53A 109.0(3) . . ?
C51A C52A C57A 126.2(3) . . ?
C53A C52A C57A 124.8(3) . . ?
C51A C52A Ru1A 71.88(18) . . ?
C53A C52A Ru1A 70.73(17) . . ?
C57A C52A Ru1A 125.0(2) . . ?
C54A C53A C52A 106.8(3) . . ?
C54A C53A C58A 128.1(3) . . ?
C52A C53A C58A 124.8(3) . . ?
C54A C53A Ru1A 71.43(17) . . ?
C52A C53A Ru1A 71.35(17) . . ?
C58A C53A Ru1A 126.3(2) . . ?
C53A C54A C55A 108.2(3) . . ?
C53A C54A C59A 125.4(3) . . ?
C55A C54A C59A 126.2(3) . . ?
C53A C54A Ru1A 70.79(18) . . ?
C55A C54A Ru1A 70.28(18) . . ?
C59A C54A Ru1A 128.6(2) . . ?
C51A C55A C54A 107.8(3) . . ?
C51A C55A C60A 124.2(3) . . ?
C54A C55A C60A 126.6(3) . . ?
C51A C55A Ru1A 72.30(18) . . ?
C54A C55A Ru1A 71.81(18) . . ?
C60A C55A Ru1A 132.0(2) . . ?
C53B Ru1B C52B 37.45(14) . . ?
C53B Ru1B C51B 63.17(13) . . ?
C52B Ru1B C51B 38.18(14) . . ?
C53B Ru1B C54B 38.10(13) . . ?
C52B Ru1B C54B 62.87(14) . . ?
C51B Ru1B C54B 62.44(15) . . ?
C53B Ru1B C55B 62.59(13) . . ?
C52B Ru1B C55B 62.64(14) . . ?
C51B Ru1B C55B 37.19(15) . . ?
C54B Ru1B C55B 36.76(14) . . ?
C53B Ru1B P1B 119.79(10) . . ?
C52B Ru1B P1B 99.82(10) . . ?
C51B Ru1B P1B 113.38(11) . . ?
C54B Ru1B P1B 157.86(10) . . ?
C55B Ru1B P1B 149.18(12) . . ?
C53B Ru1B P2B 166.13(11) . . ?
C52B Ru1B P2B 151.55(11) . . ?
C51B Ru1B P2B 118.41(10) . . ?
C54B Ru1B P2B 128.77(10) . . ?
C55B Ru1B P2B 109.55(9) . . ?
P1B Ru1B P2B 73.09(3) . . ?
C53B Ru1B Cl1B 92.39(10) . . ?
C52B Ru1B Cl1B 124.62(10) . . ?
C51B Ru1B Cl1B 153.86(10) . . ?
C54B Ru1B Cl1B 92.86(11) . . ?
C55B Ru1B Cl1B 124.70(12) . . ?
P1B Ru1B Cl1B 86.04(3) . . ?
P2B Ru1B Cl1B 83.00(3) . . ?
C21B P1B C11B 102.96(16) . . ?
C21B P1B C1B 103.56(15) . . ?
C11B P1B C1B 105.53(15) . . ?
C21B P1B Ru1B 123.11(12) . . ?
C11B P1B Ru1B 122.12(11) . . ?
C1B P1B Ru1B 96.29(11) . . ?
C31B P2B C41B 99.93(15) . . ?
C31B P2B C1B 105.58(15) . . ?
C41B P2B C1B 104.65(15) . . ?
C31B P2B Ru1B 127.62(11) . . ?
C41B P2B Ru1B 120.80(11) . . ?
C1B P2B Ru1B 95.08(10) . . ?
C2B C1B P1B 118.0(2) . . ?
C2B C1B P2B 120.0(2) . . ?
P1B C1B P2B 92.42(14) . . ?
N1B C2B C1B 176.5(4) . . ?
C16B C11B C12B 118.9(3) . . ?
C16B C11B P1B 118.4(3) . . ?
C12B C11B P1B 122.6(3) . . ?
C13B C12B C11B 120.0(4) . . ?
C14B C13B C12B 120.5(4) . . ?
C13B C14B C15B 120.2(4) . . ?
C14B C15B C16B 119.8(4) . . ?
C15B C16B C11B 120.6(4) . . ?
C26B C21B C22B 118.8(3) . . ?
C26B C21B P1B 119.7(3) . . ?
C22B C21B P1B 121.5(3) . . ?
C23B C22B C21B 120.2(4) . . ?
C24B C23B C22B 119.9(4) . . ?
C25B C24B C23B 120.2(4) . . ?
C24B C25B C26B 120.5(4) . . ?
C25B C26B C21B 120.3(4) . . ?
C36B C31B C32B 118.4(3) . . ?
C36B C31B P2B 122.8(3) . . ?
C32B C31B P2B 118.7(2) . . ?
C31B C32B C33B 120.9(3) . . ?
C34B C33B C32B 119.4(3) . . ?
C35B C34B C33B 120.4(3) . . ?
C34B C35B C36B 120.3(3) . . ?
C35B C36B C31B 120.6(3) . . ?
C46B C41B C42B 118.5(3) . . ?
C46B C41B P2B 117.0(3) . . ?
C42B C41B P2B 124.4(3) . . ?
C41B C42B C43B 120.7(4) . . ?
C44B C43B C42B 120.4(4) . . ?
C43B C44B C45B 119.2(4) . . ?
C44B C45B C46B 120.6(4) . . ?
C41B C46B C45B 120.5(4) . . ?
C55B C51B C52B 107.4(3) . . ?
C55B C51B C56B 125.8(4) . . ?
C52B C51B C56B 125.3(4) . . ?
C55B C51B Ru1B 72.7(2) . . ?
C52B C51B Ru1B 70.12(19) . . ?
C56B C51B Ru1B 133.6(3) . . ?
C53B C52B C51B 108.2(3) . . ?
C53B C52B C57B 126.8(4) . . ?
C51B C52B C57B 124.7(4) . . ?
C53B C52B Ru1B 71.26(19) . . ?
C51B C52B Ru1B 71.70(19) . . ?
C57B C52B Ru1B 127.4(3) . . ?
C52B C53B C54B 107.9(3) . . ?
C52B C53B C58B 127.2(4) . . ?
C54B C53B C58B 124.9(4) . . ?
C52B C53B Ru1B 71.29(18) . . ?
C54B C53B Ru1B 72.12(19) . . ?
C58B C53B Ru1B 124.9(2) . . ?
C55B C54B C53B 108.0(4) . . ?
C55B C54B C59B 127.5(4) . . ?
C53B C54B C59B 124.4(4) . . ?
C55B C54B Ru1B 72.5(2) . . ?
C53B C54B Ru1B 69.78(19) . . ?
C59B C54B Ru1B 126.0(3) . . ?
C54B C55B C51B 108.6(3) . . ?
C54B C55B C60B 124.7(4) . . ?
C51B C55B C60B 126.5(4) . . ?
C54B C55B Ru1B 70.7(2) . . ?
C51B C55B Ru1B 70.1(2) . . ?
C60B C55B Ru1B 129.8(3) . . ?
C72 O71 C75 101.8(6) . . ?
C73 C72 O71 111.5(7) . . ?
C72 C73 C74 109.2(8) . . ?
C73 C74 C75 111.1(6) . . ?
C74 C75 O71 102.9(6) . . ?
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
Ru1A C55A 2.196(3) . ?
Ru1A C53A 2.208(3) . ?
Ru1A C52A 2.216(3) . ?
Ru1A C54A 2.216(3) . ?
Ru1A C51A 2.226(3) . ?
Ru1A P1A 2.2645(8) . ?
Ru1A P2A 2.2790(9) . ?
Ru1A Cl1A 2.4212(9) . ?
P1A C21A 1.816(3) . ?
P1A C11A 1.823(3) . ?
P1A C1A 1.872(3) . ?
P1A P2A 2.6778(12) . ?
P2A C41A 1.820(3) . ?
P2A C31A 1.823(3) . ?
P2A C1A 1.876(3) . ?
C1A C2A 1.445(5) . ?
C2A N1A 1.146(4) . ?
C11A C12A 1.385(4) . ?
C11A C16A 1.390(4) . ?
C12A C13A 1.377(5) . ?
C13A C14A 1.384(5) . ?
C14A C15A 1.374(5) . ?
C15A C16A 1.380(5) . ?
C21A C26A 1.391(5) . ?
C21A C22A 1.391(5) . ?
C22A C23A 1.382(5) . ?
C23A C24A 1.372(5) . ?
C24A C25A 1.381(5) . ?
C25A C26A 1.383(5) . ?
C31A C32A 1.380(5) . ?
C31A C36A 1.389(5) . ?
C32A C33A 1.380(5) . ?
C33A C34A 1.375(6) . ?
C34A C35A 1.366(6) . ?
C35A C36A 1.392(5) . ?
C41A C46A 1.385(5) . ?
C41A C42A 1.390(5) . ?
C42A C43A 1.376(5) . ?
C43A C44A 1.374(5) . ?
C44A C45A 1.374(5) . ?
C45A C46A 1.381(5) . ?
C51A C52A 1.409(5) . ?
C51A C55A 1.428(5) . ?
C51A C56A 1.491(5) . ?
C52A C53A 1.437(5) . ?
C52A C57A 1.498(5) . ?
C53A C54A 1.432(5) . ?
C53A C58A 1.482(5) . ?
C54A C55A 1.434(5) . ?
C54A C59A 1.484(5) . ?
C55A C60A 1.504(5) . ?
Ru1B C53B 2.191(3) . ?
Ru1B C52B 2.192(3) . ?
Ru1B C51B 2.213(3) . ?
Ru1B C54B 2.222(3) . ?
Ru1B C55B 2.246(3) . ?
Ru1B P1B 2.2649(10) . ?
Ru1B P2B 2.3001(8) . ?
Ru1B Cl1B 2.4104(9) . ?
P1B C21B 1.819(3) . ?
P1B C11B 1.826(4) . ?
P1B C1B 1.882(3) . ?
P2B C31B 1.824(3) . ?
P2B C41B 1.831(3) . ?
P2B C1B 1.884(3) . ?
C1B C2B 1.445(5) . ?
C2B N1B 1.136(4) . ?
C11B C16B 1.386(5) . ?
C11B C12B 1.387(5) . ?
C12B C13B 1.381(5) . ?
C13B C14B 1.368(6) . ?
C14B C15B 1.374(5) . ?
C15B C16B 1.381(5) . ?
C21B C26B 1.380(5) . ?
C21B C22B 1.394(5) . ?
C22B C23B 1.386(5) . ?
C23B C24B 1.369(6) . ?
C24B C25B 1.367(6) . ?
C25B C26B 1.380(5) . ?
C31B C36B 1.384(5) . ?
C31B C32B 1.387(5) . ?
C32B C33B 1.389(5) . ?
C33B C34B 1.369(5) . ?
C34B C35B 1.368(5) . ?
C35B C36B 1.380(5) . ?
C41B C46B 1.369(5) . ?
C41B C42B 1.380(5) . ?
C42B C43B 1.379(5) . ?
C43B C44B 1.366(6) . ?
C44B C45B 1.367(6) . ?
C45B C46B 1.382(5) . ?
C51B C55B 1.422(6) . ?
C51B C52B 1.441(5) . ?
C51B C56B 1.497(6) . ?
C52B C53B 1.407(5) . ?
C52B C57B 1.496(6) . ?
C53B C54B 1.441(5) . ?
C53B C58B 1.491(5) . ?
C54B C55B 1.409(5) . ?
C54B C59B 1.495(6) . ?
C55B C60B 1.502(5) . ?
O71 C72 1.460(9) . ?
O71 C75 1.581(10) . ?
C72 C73 1.304(9) . ?
C73 C74 1.403(9) . ?
C74 C75 1.415(9) . ?
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 Ru1A P1A C21A -19.74(17) . . . . ?
C53A Ru1A P1A C21A -78.6(4) . . . . ?
C52A Ru1A P1A C21A -90.33(17) . . . . ?
C54A Ru1A P1A C21A 5.0(2) . . . . ?
C51A Ru1A P1A C21A -58.86(16) . . . . ?
P2A Ru1A P1A C21A 97.08(13) . . . . ?
Cl1A Ru1A P1A C21A -178.93(13) . . . . ?
C55A Ru1A P1A C11A 111.64(16) . . . . ?
C53A Ru1A P1A C11A 52.8(4) . . . . ?
C52A Ru1A P1A C11A 41.06(17) . . . . ?
C54A Ru1A P1A C11A 136.35(19) . . . . ?
C51A Ru1A P1A C11A 72.53(16) . . . . ?
P2A Ru1A P1A C11A -131.53(13) . . . . ?
Cl1A Ru1A P1A C11A -47.55(13) . . . . ?
C55A Ru1A P1A C1A -135.78(14) . . . . ?
C53A Ru1A P1A C1A 165.3(4) . . . . ?
C52A Ru1A P1A C1A 153.64(15) . . . . ?
C54A Ru1A P1A C1A -111.07(19) . . . . ?
C51A Ru1A P1A C1A -174.89(14) . . . . ?
P2A Ru1A P1A C1A -18.95(11) . . . . ?
Cl1A Ru1A P1A C1A 65.03(11) . . . . ?
C55A Ru1A P1A P2A -116.82(10) . . . . ?
C53A Ru1A P1A P2A -175.7(4) . . . . ?
C52A Ru1A P1A P2A 172.59(11) . . . . ?
C54A Ru1A P1A P2A -92.12(16) . . . . ?
C51A Ru1A P1A P2A -155.94(10) . . . . ?
Cl1A Ru1A P1A P2A 83.99(3) . . . . ?
C55A Ru1A P2A C41A -125.73(16) . . . . ?
C53A Ru1A P2A C41A -50.06(17) . . . . ?
C52A Ru1A P2A C41A -33.7(3) . . . . ?
C54A Ru1A P2A C41A -87.74(16) . . . . ?
C51A Ru1A P2A C41A -143.3(3) . . . . ?
P1A Ru1A P2A C41A 131.09(13) . . . . ?
Cl1A Ru1A P2A C41A 42.58(13) . . . . ?
C55A Ru1A P2A C31A 9.53(16) . . . . ?
C53A Ru1A P2A C31A 85.20(16) . . . . ?
C52A Ru1A P2A C31A 101.6(3) . . . . ?
C54A Ru1A P2A C31A 47.52(15) . . . . ?
C51A Ru1A P2A C31A -8.0(3) . . . . ?
P1A Ru1A P2A C31A -93.65(13) . . . . ?
Cl1A Ru1A P2A C31A 177.84(12) . . . . ?
C55A Ru1A P2A C1A 122.08(14) . . . . ?
C53A Ru1A P2A C1A -162.25(14) . . . . ?
C52A Ru1A P2A C1A -145.8(3) . . . . ?
C54A Ru1A P2A C1A 160.07(14) . . . . ?
C51A Ru1A P2A C1A 104.5(2) . . . . ?
P1A Ru1A P2A C1A 18.90(10) . . . . ?
Cl1A Ru1A P2A C1A -69.61(11) . . . . ?
C55A Ru1A P2A P1A 103.18(10) . . . . ?
C53A Ru1A P2A P1A 178.85(10) . . . . ?
C52A Ru1A P2A P1A -164.7(2) . . . . ?
C54A Ru1A P2A P1A 141.17(9) . . . . ?
C51A Ru1A P2A P1A 85.6(2) . . . . ?
Cl1A Ru1A P2A P1A -88.51(3) . . . . ?
C21A P1A P2A C41A 149.40(19) . . . . ?
C11A P1A P2A C41A 2.2(2) . . . . ?
C1A P1A P2A C41A 54.7(2) . . . . ?
Ru1A P1A P2A C41A -97.73(16) . . . . ?
C21A P1A P2A C31A 2.96(16) . . . . ?
C11A P1A P2A C31A -144.2(2) . . . . ?
C1A P1A P2A C31A -91.70(18) . . . . ?
Ru1A P1A P2A C31A 115.83(12) . . . . ?
C21A P1A P2A C1A 94.66(18) . . . . ?
C11A P1A P2A C1A -52.6(2) . . . . ?
Ru1A P1A P2A C1A -152.48(15) . . . . ?
C21A P1A P2A Ru1A -112.86(11) . . . . ?
C11A P1A P2A Ru1A 99.92(16) . . . . ?
C1A P1A P2A Ru1A 152.48(15) . . . . ?
C21A P1A C1A C2A 28.5(3) . . . . ?
C11A P1A C1A C2A -80.0(3) . . . . ?
Ru1A P1A C1A C2A 154.0(3) . . . . ?
P2A P1A C1A C2A 131.9(4) . . . . ?
C21A P1A C1A P2A -103.41(15) . . . . ?
C11A P1A C1A P2A 148.09(13) . . . . ?
Ru1A P1A C1A P2A 22.08(12) . . . . ?
C41A P2A C1A C2A 81.2(3) . . . . ?
C31A P2A C1A C2A -28.1(3) . . . . ?
Ru1A P2A C1A C2A -154.2(3) . . . . ?
P1A P2A C1A C2A -132.3(3) . . . . ?
C41A P2A C1A P1A -146.47(14) . . . . ?
C31A P2A C1A P1A 104.20(15) . . . . ?
Ru1A P2A C1A P1A -21.91(11) . . . . ?
P1A C1A C2A N1A -52(41) . . . . ?
P2A C1A C2A N1A 65(41) . . . . ?
C21A P1A C11A C12A -54.4(3) . . . . ?
C1A P1A C11A C12A 59.6(3) . . . . ?
Ru1A P1A C11A C12A 166.4(2) . . . . ?
P2A P1A C11A C12A 95.0(3) . . . . ?
C21A P1A C11A C16A 124.2(3) . . . . ?
C1A P1A C11A C16A -121.8(3) . . . . ?
Ru1A P1A C11A C16A -15.0(3) . . . . ?
P2A P1A C11A C16A -86.4(3) . . . . ?
C16A C11A C12A C13A -0.6(5) . . . . ?
P1A C11A C12A C13A 178.0(3) . . . . ?
C11A C12A C13A C14A -0.3(6) . . . . ?
C12A C13A C14A C15A 0.7(6) . . . . ?
C13A C14A C15A C16A 0.0(6) . . . . ?
C14A C15A C16A C11A -0.9(6) . . . . ?
C12A C11A C16A C15A 1.2(5) . . . . ?
P1A C11A C16A C15A -177.4(3) . . . . ?
C11A P1A C21A C26A -52.9(3) . . . . ?
C1A P1A C21A C26A -164.5(2) . . . . ?
Ru1A P1A C21A C26A 87.0(3) . . . . ?
P2A P1A C21A C26A 147.8(2) . . . . ?
C11A P1A C21A C22A 134.6(3) . . . . ?
C1A P1A C21A C22A 22.9(3) . . . . ?
Ru1A P1A C21A C22A -85.5(3) . . . . ?
P2A P1A C21A C22A -24.7(3) . . . . ?
C26A C21A C22A C23A -1.1(5) . . . . ?
P1A C21A C22A C23A 171.4(3) . . . . ?
C21A C22A C23A C24A -0.4(5) . . . . ?
C22A C23A C24A C25A 1.8(6) . . . . ?
C23A C24A C25A C26A -1.6(6) . . . . ?
C24A C25A C26A C21A 0.0(5) . . . . ?
C22A C21A C26A C25A 1.3(5) . . . . ?
P1A C21A C26A C25A -171.8(3) . . . . ?
C41A P2A C31A C32A 148.6(3) . . . . ?
C1A P2A C31A C32A -99.7(3) . . . . ?
Ru1A P2A C31A C32A 6.7(3) . . . . ?
P1A P2A C31A C32A -53.0(3) . . . . ?
C41A P2A C31A C36A -29.8(3) . . . . ?
C1A P2A C31A C36A 81.9(3) . . . . ?
Ru1A P2A C31A C36A -171.8(2) . . . . ?
P1A P2A C31A C36A 128.6(3) . . . . ?
C36A C31A C32A C33A 0.9(5) . . . . ?
P2A C31A C32A C33A -177.5(3) . . . . ?
C31A C32A C33A C34A 0.6(5) . . . . ?
C32A C33A C34A C35A -2.0(6) . . . . ?
C33A C34A C35A C36A 1.9(6) . . . . ?
C32A C31A C36A C35A -1.0(5) . . . . ?
P2A C31A C36A C35A 177.4(3) . . . . ?
C34A C35A C36A C31A -0.4(6) . . . . ?
C31A P2A C41A C46A 92.1(3) . . . . ?
C1A P2A C41A C46A -19.5(3) . . . . ?
Ru1A P2A C41A C46A -125.3(3) . . . . ?
P1A P2A C41A C46A -56.0(4) . . . . ?
C31A P2A C41A C42A -89.6(3) . . . . ?
C1A P2A C41A C42A 158.8(3) . . . . ?
Ru1A P2A C41A C42A 53.1(3) . . . . ?
P1A P2A C41A C42A 122.3(2) . . . . ?
C46A C41A C42A C43A 0.8(5) . . . . ?
P2A C41A C42A C43A -177.6(3) . . . . ?
C41A C42A C43A C44A -0.3(5) . . . . ?
C42A C43A C44A C45A 0.2(6) . . . . ?
C43A C44A C45A C46A -0.5(6) . . . . ?
C44A C45A C46A C41A 1.0(6) . . . . ?
C42A C41A C46A C45A -1.2(5) . . . . ?
P2A C41A C46A C45A 177.2(3) . . . . ?
C55A Ru1A C51A C52A 118.3(3) . . . . ?
C53A Ru1A C51A C52A 37.3(2) . . . . ?
C54A Ru1A C51A C52A 80.0(2) . . . . ?
P1A Ru1A C51A C52A -137.71(19) . . . . ?
P2A Ru1A C51A C52A 143.5(2) . . . . ?
Cl1A Ru1A C51A C52A -43.3(2) . . . . ?
C53A Ru1A C51A C55A -81.0(2) . . . . ?
C52A Ru1A C51A C55A -118.3(3) . . . . ?
C54A Ru1A C51A C55A -38.33(19) . . . . ?
P1A Ru1A C51A C55A 104.00(18) . . . . ?
P2A Ru1A C51A C55A 25.2(3) . . . . ?
Cl1A Ru1A C51A C55A -161.56(16) . . . . ?
C55A Ru1A C51A C56A -119.7(4) . . . . ?
C53A Ru1A C51A C56A 159.3(4) . . . . ?
C52A Ru1A C51A C56A 122.1(4) . . . . ?
C54A Ru1A C51A C56A -158.0(4) . . . . ?
P1A Ru1A C51A C56A -15.7(3) . . . . ?
P2A Ru1A C51A C56A -94.5(4) . . . . ?
Cl1A Ru1A C51A C56A 78.8(3) . . . . ?
C55A C51A C52A C53A -0.7(4) . . . . ?
C56A C51A C52A C53A 173.6(3) . . . . ?
Ru1A C51A C52A C53A -61.3(2) . . . . ?
C55A C51A C52A C57A -178.9(3) . . . . ?
C56A C51A C52A C57A -4.5(5) . . . . ?
Ru1A C51A C52A C57A 120.6(3) . . . . ?
C55A C51A C52A Ru1A 60.6(2) . . . . ?
C56A C51A C52A Ru1A -125.0(3) . . . . ?
C55A Ru1A C52A C51A -37.2(2) . . . . ?
C53A Ru1A C52A C51A -118.5(3) . . . . ?
C54A Ru1A C52A C51A -80.1(2) . . . . ?
P1A Ru1A C52A C51A 57.1(2) . . . . ?
P2A Ru1A C52A C51A -141.7(2) . . . . ?
Cl1A Ru1A C52A C51A 143.6(2) . . . . ?
C55A Ru1A C52A C53A 81.3(2) . . . . ?
C54A Ru1A C52A C53A 38.38(19) . . . . ?
C51A Ru1A C52A C53A 118.5(3) . . . . ?
P1A Ru1A C52A C53A 175.66(15) . . . . ?
P2A Ru1A C52A C53A -23.2(3) . . . . ?
Cl1A Ru1A C52A C53A -97.92(18) . . . . ?
C55A Ru1A C52A C57A -159.2(4) . . . . ?
C53A Ru1A C52A C57A 119.5(4) . . . . ?
C54A Ru1A C52A C57A 157.9(4) . . . . ?
C51A Ru1A C52A C57A -121.9(4) . . . . ?
P1A Ru1A C52A C57A -64.8(3) . . . . ?
P2A Ru1A C52A C57A 96.3(4) . . . . ?
Cl1A Ru1A C52A C57A 21.6(3) . . . . ?
C51A C52A C53A C54A -1.0(4) . . . . ?
C57A C52A C53A C54A 177.1(3) . . . . ?
Ru1A C52A C53A C54A -63.0(2) . . . . ?
C51A C52A C53A C58A -176.1(3) . . . . ?
C57A C52A C53A C58A 2.0(5) . . . . ?
Ru1A C52A C53A C58A 121.8(3) . . . . ?
C51A C52A C53A Ru1A 62.0(2) . . . . ?
C57A C52A C53A Ru1A -119.8(3) . . . . ?
C55A Ru1A C53A C54A 37.1(2) . . . . ?
C52A Ru1A C53A C54A 115.8(3) . . . . ?
C51A Ru1A C53A C54A 79.4(2) . . . . ?
P1A Ru1A C53A C54A 101.0(4) . . . . ?
P2A Ru1A C53A C54A -74.2(2) . . . . ?
Cl1A Ru1A C53A C54A -159.75(19) . . . . ?
C55A Ru1A C53A C52A -78.7(2) . . . . ?
C54A Ru1A C53A C52A -115.8(3) . . . . ?
C51A Ru1A C53A C52A -36.38(19) . . . . ?
P1A Ru1A C53A C52A -14.8(5) . . . . ?
P2A Ru1A C53A C52A 169.94(16) . . . . ?
Cl1A Ru1A C53A C52A 84.42(18) . . . . ?
C55A Ru1A C53A C58A 161.3(4) . . . . ?
C52A Ru1A C53A C58A -120.0(4) . . . . ?
C54A Ru1A C53A C58A 124.2(4) . . . . ?
C51A Ru1A C53A C58A -156.4(4) . . . . ?
P1A Ru1A C53A C58A -134.8(4) . . . . ?
P2A Ru1A C53A C58A 49.9(3) . . . . ?
Cl1A Ru1A C53A C58A -35.6(3) . . . . ?
C52A C53A C54A C55A 2.4(3) . . . . ?
C58A C53A C54A C55A 177.3(3) . . . . ?
Ru1A C53A C54A C55A -60.6(2) . . . . ?
C52A C53A C54A C59A -172.8(3) . . . . ?
C58A C53A C54A C59A 2.2(5) . . . . ?
Ru1A C53A C54A C59A 124.2(3) . . . . ?
C52A C53A C54A Ru1A 63.0(2) . . . . ?
C58A C53A C54A Ru1A -122.1(4) . . . . ?
C55A Ru1A C54A C53A -118.4(3) . . . . ?
C52A Ru1A C54A C53A -38.5(2) . . . . ?
C51A Ru1A C54A C53A -80.3(2) . . . . ?
P1A Ru1A C54A C53A -158.15(16) . . . . ?
P2A Ru1A C54A C53A 121.20(19) . . . . ?
Cl1A Ru1A C54A C53A 27.0(2) . . . . ?
C53A Ru1A C54A C55A 118.4(3) . . . . ?
C52A Ru1A C54A C55A 79.9(2) . . . . ?
C51A Ru1A C54A C55A 38.08(19) . . . . ?
P1A Ru1A C54A C55A -39.7(3) . . . . ?
P2A Ru1A C54A C55A -120.38(18) . . . . ?
Cl1A Ru1A C54A C55A 145.40(16) . . . . ?
C55A Ru1A C54A C59A 121.1(4) . . . . ?
C53A Ru1A C54A C59A -120.4(4) . . . . ?
C52A Ru1A C54A C59A -159.0(4) . . . . ?
C51A Ru1A C54A C59A 159.2(4) . . . . ?
P1A Ru1A C54A C59A 81.4(4) . . . . ?
P2A Ru1A C54A C59A 0.8(3) . . . . ?
Cl1A Ru1A C54A C59A -93.5(3) . . . . ?
C52A C51A C55A C54A 2.2(4) . . . . ?
C56A C51A C55A C54A -172.3(3) . . . . ?
Ru1A C51A C55A C54A 63.5(2) . . . . ?
C52A C51A C55A C60A 169.5(3) . . . . ?
C56A C51A C55A C60A -5.0(5) . . . . ?
Ru1A C51A C55A C60A -129.2(3) . . . . ?
C52A C51A C55A Ru1A -61.3(2) . . . . ?
C56A C51A C55A Ru1A 124.3(3) . . . . ?
C53A C54A C55A C51A -2.9(4) . . . . ?
C59A C54A C55A C51A 172.2(3) . . . . ?
Ru1A C54A C55A C51A -63.8(2) . . . . ?
C53A C54A C55A C60A -169.8(3) . . . . ?
C59A C54A C55A C60A 5.3(5) . . . . ?
Ru1A C54A C55A C60A 129.3(3) . . . . ?
C53A C54A C55A Ru1A 60.9(2) . . . . ?
C59A C54A C55A Ru1A -124.0(3) . . . . ?
C53A Ru1A C55A C51A 79.3(2) . . . . ?
C52A Ru1A C55A C51A 36.58(19) . . . . ?
C54A Ru1A C55A C51A 116.2(3) . . . . ?
P1A Ru1A C55A C51A -88.07(18) . . . . ?
P2A Ru1A C55A C51A -168.73(15) . . . . ?
Cl1A Ru1A C55A C51A 38.4(3) . . . . ?
C53A Ru1A C55A C54A -36.97(19) . . . . ?
C52A Ru1A C55A C54A -79.7(2) . . . . ?
C51A Ru1A C55A C54A -116.2(3) . . . . ?
P1A Ru1A C55A C54A 155.69(16) . . . . ?
P2A Ru1A C55A C54A 75.04(19) . . . . ?
Cl1A Ru1A C55A C54A -77.8(3) . . . . ?
C53A Ru1A C55A C60A -160.2(4) . . . . ?
C52A Ru1A C55A C60A 157.1(4) . . . . ?
C54A Ru1A C55A C60A -123.3(5) . . . . ?
C51A Ru1A C55A C60A 120.5(4) . . . . ?
P1A Ru1A C55A C60A 32.4(4) . . . . ?
P2A Ru1A C55A C60A -48.2(4) . . . . ?
Cl1A Ru1A C55A C60A 158.9(3) . . . . ?
C53B Ru1B P1B C21B 51.28(18) . . . . ?
C52B Ru1B P1B C21B 85.26(17) . . . . ?
C51B Ru1B P1B C21B 122.68(17) . . . . ?
C54B Ru1B P1B C21B 48.6(3) . . . . ?
C55B Ru1B P1B C21B 136.9(2) . . . . ?
P2B Ru1B P1B C21B -123.09(13) . . . . ?
Cl1B Ru1B P1B C21B -39.21(13) . . . . ?
C53B Ru1B P1B C11B -85.24(17) . . . . ?
C52B Ru1B P1B C11B -51.26(16) . . . . ?
C51B Ru1B P1B C11B -13.85(17) . . . . ?
C54B Ru1B P1B C11B -87.9(3) . . . . ?
C55B Ru1B P1B C11B 0.4(2) . . . . ?
P2B Ru1B P1B C11B 100.38(13) . . . . ?
Cl1B Ru1B P1B C11B -175.74(13) . . . . ?
C53B Ru1B P1B C1B 161.98(15) . . . . ?
C52B Ru1B P1B C1B -164.04(15) . . . . ?
C51B Ru1B P1B C1B -126.62(15) . . . . ?
C54B Ru1B P1B C1B 159.3(3) . . . . ?
C55B Ru1B P1B C1B -112.4(2) . . . . ?
P2B Ru1B P1B C1B -12.40(11) . . . . ?
Cl1B Ru1B P1B C1B 71.49(11) . . . . ?
C53B Ru1B P2B C31B 99.0(4) . . . . ?
C52B Ru1B P2B C31B -22.5(3) . . . . ?
C51B Ru1B P2B C31B 6.10(19) . . . . ?
C54B Ru1B P2B C31B 82.20(19) . . . . ?
C55B Ru1B P2B C31B 45.84(19) . . . . ?
P1B Ru1B P2B C31B -101.78(14) . . . . ?
Cl1B Ru1B P2B C31B 170.24(14) . . . . ?
C53B Ru1B P2B C41B -36.5(4) . . . . ?
C52B Ru1B P2B C41B -158.0(2) . . . . ?
C51B Ru1B P2B C41B -129.35(18) . . . . ?
C54B Ru1B P2B C41B -53.25(19) . . . . ?
C55B Ru1B P2B C41B -89.61(18) . . . . ?
P1B Ru1B P2B C41B 122.77(13) . . . . ?
Cl1B Ru1B P2B C41B 34.79(13) . . . . ?
C53B Ru1B P2B C1B -146.9(4) . . . . ?
C52B Ru1B P2B C1B 91.6(2) . . . . ?
C51B Ru1B P2B C1B 120.25(17) . . . . ?
C54B Ru1B P2B C1B -163.66(17) . . . . ?
C55B Ru1B P2B C1B 159.98(16) . . . . ?
P1B Ru1B P2B C1B 12.36(11) . . . . ?
Cl1B Ru1B P2B C1B -75.61(11) . . . . ?
C21B P1B C1B C2B -93.0(3) . . . . ?
C11B P1B C1B C2B 14.8(3) . . . . ?
Ru1B P1B C1B C2B 140.7(2) . . . . ?
C21B P1B C1B P2B 140.83(15) . . . . ?
C11B P1B C1B P2B -111.32(16) . . . . ?
Ru1B P1B C1B P2B 14.54(12) . . . . ?
C31B P2B C1B C2B -7.5(3) . . . . ?
C41B P2B C1B C2B 97.5(3) . . . . ?
Ru1B P2B C1B C2B -138.9(2) . . . . ?
C31B P2B C1B P1B 117.10(15) . . . . ?
C41B P2B C1B P1B -137.96(14) . . . . ?
Ru1B P2B C1B P1B -14.28(12) . . . . ?
P1B C1B C2B N1B -27(7) . . . . ?
P2B C1B C2B N1B 85(7) . . . . ?
C21B P1B C11B C16B 169.3(3) . . . . ?
C1B P1B C11B C16B 61.1(3) . . . . ?
Ru1B P1B C11B C16B -46.9(3) . . . . ?
C21B P1B C11B C12B -14.5(3) . . . . ?
C1B P1B C11B C12B -122.8(3) . . . . ?
Ru1B P1B C11B C12B 129.3(3) . . . . ?
C16B C11B C12B C13B -1.6(5) . . . . ?
P1B C11B C12B C13B -177.7(3) . . . . ?
C11B C12B C13B C14B 1.0(5) . . . . ?
C12B C13B C14B C15B -0.3(6) . . . . ?
C13B C14B C15B C16B 0.3(6) . . . . ?
C14B C15B C16B C11B -0.9(5) . . . . ?
C12B C11B C16B C15B 1.6(5) . . . . ?
P1B C11B C16B C15B 177.9(3) . . . . ?
C11B P1B C21B C26B 107.6(3) . . . . ?
C1B P1B C21B C26B -142.7(3) . . . . ?
Ru1B P1B C21B C26B -35.7(3) . . . . ?
C11B P1B C21B C22B -72.8(3) . . . . ?
C1B P1B C21B C22B 36.9(3) . . . . ?
Ru1B P1B C21B C22B 143.9(3) . . . . ?
C26B C21B C22B C23B 1.6(6) . . . . ?
P1B C21B C22B C23B -178.0(3) . . . . ?
C21B C22B C23B C24B -2.3(7) . . . . ?
C22B C23B C24B C25B 1.0(7) . . . . ?
C23B C24B C25B C26B 1.0(7) . . . . ?
C24B C25B C26B C21B -1.7(7) . . . . ?
C22B C21B C26B C25B 0.3(6) . . . . ?
P1B C21B C26B C25B 179.9(3) . . . . ?
C41B P2B C31B C36B -42.1(3) . . . . ?
C1B P2B C31B C36B 66.3(3) . . . . ?
Ru1B P2B C31B C36B 175.6(2) . . . . ?
C41B P2B C31B C32B 135.3(3) . . . . ?
C1B P2B C31B C32B -116.3(3) . . . . ?
Ru1B P2B C31B C32B -7.0(3) . . . . ?
C36B C31B C32B C33B 0.2(5) . . . . ?
P2B C31B C32B C33B -177.3(3) . . . . ?
C31B C32B C33B C34B -0.5(6) . . . . ?
C32B C33B C34B C35B 0.1(6) . . . . ?
C33B C34B C35B C36B 0.6(6) . . . . ?
C34B C35B C36B C31B -0.9(6) . . . . ?
C32B C31B C36B C35B 0.5(6) . . . . ?
P2B C31B C36B C35B 178.0(3) . . . . ?
C31B P2B C41B C46B -91.2(3) . . . . ?
C1B P2B C41B C46B 159.7(3) . . . . ?
Ru1B P2B C41B C46B 54.4(3) . . . . ?
C31B P2B C41B C42B 85.8(3) . . . . ?
C1B P2B C41B C42B -23.4(4) . . . . ?
Ru1B P2B C41B C42B -128.6(3) . . . . ?
C46B C41B C42B C43B 3.0(6) . . . . ?
P2B C41B C42B C43B -173.9(3) . . . . ?
C41B C42B C43B C44B -1.0(7) . . . . ?
C42B C43B C44B C45B -0.7(8) . . . . ?
C43B C44B C45B C46B 0.2(8) . . . . ?
C42B C41B C46B C45B -3.5(6) . . . . ?
P2B C41B C46B C45B 173.6(4) . . . . ?
C44B C45B C46B C41B 2.0(7) . . . . ?
C53B Ru1B C51B C55B -79.2(2) . . . . ?
C52B Ru1B C51B C55B -116.5(3) . . . . ?
C54B Ru1B C51B C55B -36.2(2) . . . . ?
P1B Ru1B C51B C55B 167.94(18) . . . . ?
P2B Ru1B C51B C55B 85.2(2) . . . . ?
Cl1B Ru1B C51B C55B -56.8(4) . . . . ?
C53B Ru1B C51B C52B 37.2(2) . . . . ?
C54B Ru1B C51B C52B 80.3(2) . . . . ?
C55B Ru1B C51B C52B 116.5(3) . . . . ?
P1B Ru1B C51B C52B -75.6(2) . . . . ?
P2B Ru1B C51B C52B -158.32(19) . . . . ?
Cl1B Ru1B C51B C52B 59.7(4) . . . . ?
C53B Ru1B C51B C56B 157.5(5) . . . . ?
C52B Ru1B C51B C56B 120.2(6) . . . . ?
C54B Ru1B C51B C56B -159.5(5) . . . . ?
C55B Ru1B C51B C56B -123.3(5) . . . . ?
P1B Ru1B C51B C56B 44.6(5) . . . . ?
P2B Ru1B C51B C56B -38.1(5) . . . . ?
Cl1B Ru1B C51B C56B 179.9(3) . . . . ?
C55B C51B C52B C53B 1.3(4) . . . . ?
C56B C51B C52B C53B 167.7(3) . . . . ?
Ru1B C51B C52B C53B -62.3(2) . . . . ?
C55B C51B C52B C57B -173.1(3) . . . . ?
C56B C51B C52B C57B -6.7(6) . . . . ?
Ru1B C51B C52B C57B 123.3(3) . . . . ?
C55B C51B C52B Ru1B 63.6(2) . . . . ?
C56B C51B C52B Ru1B -130.0(4) . . . . ?
C51B Ru1B C52B C53B 117.4(3) . . . . ?
C54B Ru1B C52B C53B 38.3(2) . . . . ?
C55B Ru1B C52B C53B 79.8(2) . . . . ?
P1B Ru1B C52B C53B -127.1(2) . . . . ?
P2B Ru1B C52B C53B 160.36(18) . . . . ?
Cl1B Ru1B C52B C53B -35.1(2) . . . . ?
C53B Ru1B C52B C51B -117.4(3) . . . . ?
C54B Ru1B C52B C51B -79.1(2) . . . . ?
C55B Ru1B C52B C51B -37.5(2) . . . . ?
P1B Ru1B C52B C51B 115.6(2) . . . . ?
P2B Ru1B C52B C51B 43.0(3) . . . . ?
Cl1B Ru1B C52B C51B -152.48(19) . . . . ?
C53B Ru1B C52B C57B 122.5(5) . . . . ?
C51B Ru1B C52B C57B -120.1(5) . . . . ?
C54B Ru1B C52B C57B 160.8(4) . . . . ?
C55B Ru1B C52B C57B -157.7(4) . . . . ?
P1B Ru1B C52B C57B -4.6(4) . . . . ?
P2B Ru1B C52B C57B -77.1(4) . . . . ?
Cl1B Ru1B C52B C57B 87.4(4) . . . . ?
C51B C52B C53B C54B -0.7(4) . . . . ?
C57B C52B C53B C54B 173.5(3) . . . . ?
Ru1B C52B C53B C54B -63.3(2) . . . . ?
C51B C52B C53B C58B -177.4(3) . . . . ?
C57B C52B C53B C58B -3.1(6) . . . . ?
Ru1B C52B C53B C58B 120.0(3) . . . . ?
C51B C52B C53B Ru1B 62.6(2) . . . . ?
C57B C52B C53B Ru1B -123.2(4) . . . . ?
C51B Ru1B C53B C52B -38.0(2) . . . . ?
C54B Ru1B C53B C52B -116.7(3) . . . . ?
C55B Ru1B C53B C52B -80.0(2) . . . . ?
P1B Ru1B C53B C52B 64.9(2) . . . . ?
P2B Ru1B C53B C52B -138.1(4) . . . . ?
Cl1B Ru1B C53B C52B 151.7(2) . . . . ?
C52B Ru1B C53B C54B 116.7(3) . . . . ?
C51B Ru1B C53B C54B 78.7(2) . . . . ?
C55B Ru1B C53B C54B 36.7(2) . . . . ?
P1B Ru1B C53B C54B -178.39(18) . . . . ?
P2B Ru1B C53B C54B -21.4(5) . . . . ?
Cl1B Ru1B C53B C54B -91.6(2) . . . . ?
C52B Ru1B C53B C58B -122.8(4) . . . . ?
C51B Ru1B C53B C58B -160.7(4) . . . . ?
C54B Ru1B C53B C58B 120.5(4) . . . . ?
C55B Ru1B C53B C58B 157.3(4) . . . . ?
P1B Ru1B C53B C58B -57.9(4) . . . . ?
P2B Ru1B C53B C58B 99.1(5) . . . . ?
Cl1B Ru1B C53B C58B 28.9(3) . . . . ?
C52B C53B C54B C55B -0.1(4) . . . . ?
C58B C53B C54B C55B 176.6(3) . . . . ?
Ru1B C53B C54B C55B -62.9(2) . . . . ?
C52B C53B C54B C59B -176.8(3) . . . . ?
C58B C53B C54B C59B 0.0(5) . . . . ?
Ru1B C53B C54B C59B 120.5(4) . . . . ?
C52B C53B C54B Ru1B 62.7(2) . . . . ?
C58B C53B C54B Ru1B -120.5(3) . . . . ?
C53B Ru1B C54B C55B 117.4(3) . . . . ?
C52B Ru1B C54B C55B 79.8(2) . . . . ?
C51B Ru1B C54B C55B 36.6(2) . . . . ?
P1B Ru1B C54B C55B 121.1(3) . . . . ?
P2B Ru1B C54B C55B -69.0(3) . . . . ?
Cl1B Ru1B C54B C55B -152.3(2) . . . . ?
C52B Ru1B C54B C53B -37.6(2) . . . . ?
C51B Ru1B C54B C53B -80.8(2) . . . . ?
C55B Ru1B C54B C53B -117.4(3) . . . . ?
P1B Ru1B C54B C53B 3.7(4) . . . . ?
P2B Ru1B C54B C53B 173.55(17) . . . . ?
Cl1B Ru1B C54B C53B 90.2(2) . . . . ?
C53B Ru1B C54B C59B -118.5(4) . . . . ?
C52B Ru1B C54B C59B -156.1(4) . . . . ?
C51B Ru1B C54B C59B 160.7(4) . . . . ?
C55B Ru1B C54B C59B 124.1(5) . . . . ?
P1B Ru1B C54B C59B -114.8(4) . . . . ?
P2B Ru1B C54B C59B 55.1(4) . . . . ?
Cl1B Ru1B C54B C59B -28.2(4) . . . . ?
C53B C54B C55B C51B 0.9(4) . . . . ?
C59B C54B C55B C51B 177.4(3) . . . . ?
Ru1B C54B C55B C51B -60.2(2) . . . . ?
C53B C54B C55B C60B -173.3(3) . . . . ?
C59B C54B C55B C60B 3.2(6) . . . . ?
Ru1B C54B C55B C60B 125.6(3) . . . . ?
C53B C54B C55B Ru1B 61.1(2) . . . . ?
C59B C54B C55B Ru1B -122.4(4) . . . . ?
C52B C51B C55B C54B -1.4(4) . . . . ?
C56B C51B C55B C54B -167.7(3) . . . . ?
Ru1B C51B C55B C54B 60.5(2) . . . . ?
C52B C51B C55B C60B 172.7(3) . . . . ?
C56B C51B C55B C60B 6.3(6) . . . . ?
Ru1B C51B C55B C60B -125.4(3) . . . . ?
C52B C51B C55B Ru1B -61.9(2) . . . . ?
C56B C51B C55B Ru1B 131.7(4) . . . . ?
C53B Ru1B C55B C54B -38.1(2) . . . . ?
C52B Ru1B C55B C54B -80.5(2) . . . . ?
C51B Ru1B C55B C54B -119.0(3) . . . . ?
P1B Ru1B C55B C54B -141.0(2) . . . . ?
P2B Ru1B C55B C54B 129.4(2) . . . . ?
Cl1B Ru1B C55B C54B 34.3(3) . . . . ?
C53B Ru1B C55B C51B 80.9(2) . . . . ?
C52B Ru1B C55B C51B 38.5(2) . . . . ?
C54B Ru1B C55B C51B 119.0(3) . . . . ?
P1B Ru1B C55B C51B -22.0(3) . . . . ?
P2B Ru1B C55B C51B -111.6(2) . . . . ?
Cl1B Ru1B C55B C51B 153.36(18) . . . . ?
C53B Ru1B C55B C60B -157.7(5) . . . . ?
C52B Ru1B C55B C60B 160.0(5) . . . . ?
C51B Ru1B C55B C60B 121.4(5) . . . . ?
C54B Ru1B C55B C60B -119.6(5) . . . . ?
P1B Ru1B C55B C60B 99.4(4) . . . . ?
P2B Ru1B C55B C60B 9.9(5) . . . . ?
Cl1B Ru1B C55B C60B -85.2(4) . . . . ?
C75 O71 C72 C73 -17.5(11) . . . . ?
O71 C72 C73 C74 19.9(12) . . . . ?
C72 C73 C74 C75 -13.6(12) . . . . ?
C73 C74 C75 O71 2.2(10) . . . . ?
C72 O71 C75 C74 8.4(9) . . . . ?
