#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:39:19 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179340 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/37/4323752.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_4323752
loop_
_publ_author_name
'Rainer F. Winter'
'Fridmann M. Hornung'
_publ_contact_author
;
     Dr. Rainer Winter
     Department of Inorganic Chemistry
     University of Stuttgart
     Pfaffenwaldring 55
     D-70550 Stuttgart
     Germany
;
_publ_contact_author_email       winter@anorg55.chemie.uni-stuttgart.de
_publ_contact_author_phone       '049 711 685-4193'
_publ_section_title
;
 The Square Pyramidal Hydride Cation [RuH(dcpe)2]+, dcpe =
 Bis(dicyclohexylphosphino)ethane. Structures of [RuH(dcpe)2]+[BPh4]-and
 of the Zwitterionic {(η6-C6H5)BPh3}RuH(dcpe)
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6197
_journal_page_last               6204
_journal_paper_doi               10.1021/ic970583m
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C50 H70 B Cl P2 Ru'
_chemical_formula_weight         886.34
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL
_cell_angle_alpha                90.00
_cell_angle_beta                 107.60
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.321(5)
_cell_length_b                   19.716(7)
_cell_length_c                   17.100(5)
_cell_measurement_temperature    293(2)
_cell_volume                     4602(3)
_computing_cell_refinement       'Siemens Diffractometer Software'
_computing_data_collection       'Siemens Diffractometer Software'
_computing_data_reduction        'SHELXTL-Plus X-Disk'
_computing_molecular_graphics    'SHELXTL-Plus XP'
_computing_publication_material  SHELXL-93
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1990)'
_diffrn_ambient_temperature      188(3)
_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  0.0472
_diffrn_reflns_av_sigmaI/netI    0.0375
_diffrn_reflns_limit_h_max       18
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            10434
_diffrn_reflns_theta_max         27.03
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    0.501
_exptl_crystal_density_diffrn    1.279
_exptl_crystal_F_000             1876
_exptl_crystal_size_max          0.3
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.482
_refine_diff_density_min         -1.047
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.086
_refine_ls_goodness_of_fit_obs   1.132
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     586
_refine_ls_number_reflns         9682
_refine_ls_number_restraints     13
_refine_ls_restrained_S_all      1.158
_refine_ls_restrained_S_obs      1.132
_refine_ls_R_factor_all          0.0829
_refine_ls_R_factor_obs          0.0648
_refine_ls_shift/esd_max         0.156
_refine_ls_shift/esd_mean        0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0811P)²+12.0692P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1873
_refine_ls_wR_factor_obs         0.1639
_reflns_number_observed          8079
_reflns_number_total             10046
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic970583m_2.cif
_cod_data_source_block           Ru2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0811P)^2^+12.0692P] where P=(Fo^2^+2Fc^2^)/3'
was changed to 'calc'. New tag '_refine_ls_weighting_details' was
created. The value of the new tag was set to
'w=1/[\s^2^(Fo^2^)+(0.0811P)^2^+12.0692P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        4602.2(27)
_cod_database_code               4323752
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, 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_thermal_displace_type
_atom_site_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Ru Ru 0.32548(2) 0.07818(2) 0.64906(2) 0.02719(11) Uani 1 d . .
P1 P 0.33128(8) 0.10598(6) 0.77989(7) 0.0321(2) Uani 1 d . .
P2 P 0.49135(9) 0.09343(8) 0.69649(8) 0.0476(3) Uani 1 d . .
H H 0.3294(31) 0.1501(24) 0.6472(26) 0.030(12) Uiso 1 d . .
B B 0.1210(4) 0.1449(2) 0.4653(3) 0.0344(10) Uani 1 d . .
C1 C 0.4562(21) 0.1423(13) 0.8303(15) 0.046(5) Uani 0.61(2) d P 1
H1A H 0.4537(21) 0.1907(13) 0.8197(15) 0.055 Uiso 0.61(2) calc PR 1
H1B H 0.4713(21) 0.1363(13) 0.8892(15) 0.055 Uiso 0.61(2) calc PR 1
C2 C 0.5337(6) 0.1145(6) 0.8057(5) 0.052(3) Uani 0.61(2) d P 1
H2A H 0.5581(6) 0.0739(6) 0.8374(5) 0.063 Uiso 0.61(2) calc PR 1
H2B H 0.5870(6) 0.1469(6) 0.8161(5) 0.063 Uiso 0.61(2) calc PR 1
C1A C 0.4506(30) 0.1283(20) 0.8464(24) 0.039(6) Uani 0.39(2) d P 2
H1C H 0.4454(30) 0.1623(20) 0.8859(24) 0.047 Uiso 0.39(2) calc PR 2
H1D H 0.4834(30) 0.0887(20) 0.8760(24) 0.047 Uiso 0.39(2) calc PR 2
C2A C 0.5149(2) 0.1601(2) 0.7834(2) 0.039(4) Uani 0.39(2) d P 2
H2C H 0.5842(2) 0.1638(2) 0.8126(2) 0.047 Uiso 0.39(2) calc PR 2
H2D H 0.4902(2) 0.2043(2) 0.7619(2) 0.047 Uiso 0.39(2) calc PR 2
C61 C 0.1913(2) 0.2031(2) 0.4438(2) 0.0389(10) Uani 1 d R .
C62 C 0.2047(2) 0.2105(2) 0.3670(2) 0.0486(12) Uani 1 d R .
H62 H 0.1721(2) 0.1812(2) 0.3250(2) 0.058 Uiso 1 calc R .
C63 C 0.2660(5) 0.2609(3) 0.3509(4) 0.062(2) Uani 1 d . .
H63 H 0.2743(5) 0.2636(3) 0.2991(4) 0.075 Uiso 1 calc R .
C64 C 0.3136(5) 0.3058(3) 0.4105(5) 0.067(2) Uani 1 d . .
H64 H 0.3526(5) 0.3398(3) 0.3992(5) 0.080 Uiso 1 calc R .
C65 C 0.3027(4) 0.3000(3) 0.4885(4) 0.062(2) Uani 1 d . .
H65 H 0.3345(4) 0.3301(3) 0.5298(4) 0.074 Uiso 1 calc R .
C66 C 0.2440(4) 0.2490(3) 0.5039(3) 0.0489(12) Uani 1 d . .
H66 H 0.2394(4) 0.2449(3) 0.5567(3) 0.059 Uiso 1 calc R .
C71 C 0.0348(3) 0.1758(2) 0.5005(3) 0.0386(10) Uani 1 d . .
C72 C 0.0250(4) 0.2447(3) 0.5169(3) 0.0448(11) Uani 1 d . .
H72 H 0.0711(4) 0.2754(3) 0.5098(3) 0.054 Uiso 1 calc R .
C73 C -0.0524(4) 0.2684(3) 0.5437(4) 0.0563(14) Uani 1 d . .
H73 H -0.0564(4) 0.3144(3) 0.5545(4) 0.068 Uiso 1 calc R .
C74 C -0.1228(4) 0.2246(3) 0.5543(4) 0.062(2) Uani 1 d . .
H74 H -0.1738(4) 0.2406(3) 0.5724(4) 0.075 Uiso 1 calc R .
C75 C -0.1158(4) 0.1565(3) 0.5375(4) 0.0569(14) Uani 1 d . .
H75 H -0.1623(4) 0.1260(3) 0.5445(4) 0.068 Uiso 1 calc R .
C76 C -0.0398(4) 0.1337(3) 0.5105(4) 0.0491(12) Uani 1 d . .
H76 H -0.0379(4) 0.0878(3) 0.4981(4) 0.059 Uiso 1 calc R .
C81 C 0.0629(3) 0.1017(2) 0.3820(3) 0.0384(10) Uani 1 d . .
C82 C 0.0719(4) 0.0325(3) 0.3698(3) 0.0444(11) Uani 1 d . .
H82 H 0.1128(4) 0.0067(3) 0.4119(3) 0.053 Uiso 1 calc R .
C83 C 0.0212(4) 0.0008(3) 0.2961(4) 0.061(2) Uani 1 d . .
H83 H 0.0287(4) -0.0456(3) 0.2900(4) 0.073 Uiso 1 calc R .
C84 C -0.0389(5) 0.0370(4) 0.2330(4) 0.066(2) Uani 1 d . .
H84 H -0.0713(5) 0.0159(4) 0.1837(4) 0.079 Uiso 1 calc R .
C85 C -0.0510(5) 0.1045(4) 0.2430(4) 0.071(2) Uani 1 d . .
H85 H -0.0922(5) 0.1296(4) 0.2003(4) 0.085 Uiso 1 calc R .
C86 C -0.0022(4) 0.1362(3) 0.3163(3) 0.0582(15) Uani 1 d . .
H86 H -0.0130(4) 0.1822(3) 0.3221(3) 0.070 Uiso 1 calc R .
C51 C 0.1906(3) 0.0879(2) 0.5280(3) 0.0315(9) Uani 1 d . .
C52 C 0.1637(3) 0.0523(2) 0.5900(3) 0.0313(8) Uani 1 d . .
H52 H 0.1114(3) 0.0684(2) 0.6062(3) 0.038 Uiso 1 calc R .
C53 C 0.2131(3) -0.0066(2) 0.6279(3) 0.0363(10) Uani 1 d . .
H53 H 0.1926(3) -0.0285(2) 0.6680(3) 0.044 Uiso 1 calc R .
C54 C 0.2927(4) -0.0322(2) 0.6058(3) 0.0385(10) Uani 1 d . .
H54 H 0.3226(4) -0.0728(2) 0.6276(3) 0.046 Uiso 1 calc R .
C55 C 0.3264(3) 0.0055(2) 0.5490(3) 0.0372(10) Uani 1 d . .
H55 H 0.3821(3) -0.0086(2) 0.5363(3) 0.045 Uiso 1 calc R .
C56 C 0.2765(3) 0.0642(2) 0.5119(2) 0.0328(9) Uani 1 d . .
H56 H 0.3006(3) 0.0883(2) 0.4754(2) 0.039 Uiso 1 calc R .
C11 C 0.3059(4) 0.0367(3) 0.8441(3) 0.0467(12) Uani 1 d . .
H11 H 0.2376(4) 0.0234(3) 0.8183(3) 0.056 Uiso 1 calc R .
C12 C 0.3677(5) -0.0263(3) 0.8430(4) 0.0582(15) Uani 1 d . .
H12A H 0.4366(5) -0.0148(3) 0.8644(4) 0.070 Uiso 1 calc R .
H12B H 0.3552(5) -0.0415(3) 0.7868(4) 0.070 Uiso 1 calc R .
C13 C 0.3444(5) -0.0840(3) 0.8941(4) 0.071(2) Uani 1 d . .
H13A H 0.2774(5) -0.0988(3) 0.8688(4) 0.085 Uiso 1 calc R .
H13B H 0.3872(5) -0.1221(3) 0.8940(4) 0.085 Uiso 1 calc R .
C14 C 0.3565(6) -0.0637(5) 0.9810(4) 0.089(3) Uani 1 d . .
H14A H 0.3387(6) -0.1012(5) 1.0103(4) 0.107 Uiso 1 calc R .
H14B H 0.4244(6) -0.0521(5) 1.0083(4) 0.107 Uiso 1 calc R .
C15 C 0.2939(8) -0.0054(5) 0.9817(5) 0.100(3) Uani 1 d . .
H15A H 0.3033(8) 0.0080(5) 1.0382(5) 0.120 Uiso 1 calc R .
H15B H 0.2260(8) -0.0190(5) 0.9586(5) 0.120 Uiso 1 calc R .
C16 C 0.3135(6) 0.0576(4) 0.9330(4) 0.074(2) Uani 1 d . .
H16A H 0.2659(6) 0.0928(4) 0.9322(4) 0.089 Uiso 1 calc R .
H16B H 0.3783(6) 0.0756(4) 0.9600(4) 0.089 Uiso 1 calc R .
C21 C 0.2520(4) 0.1744(2) 0.7967(3) 0.0443(11) Uani 1 d . .
H21 H 0.2660(4) 0.1789(2) 0.8563(3) 0.053 Uiso 1 calc R .
C22 C 0.1437(5) 0.1599(3) 0.7623(5) 0.067(2) Uani 1 d . .
H22A H 0.1291(5) 0.1164(3) 0.7823(5) 0.080 Uiso 1 calc R .
H22B H 0.1256(5) 0.1577(3) 0.7029(5) 0.080 Uiso 1 calc R .
C23 C 0.0840(6) 0.2160(5) 0.7881(6) 0.104(3) Uani 1 d . .
H23A H 0.0147(6) 0.2081(5) 0.7617(6) 0.125 Uiso 1 calc R .
H23B H 0.0957(6) 0.2139(5) 0.8470(6) 0.125 Uiso 1 calc R .
C24 C 0.1102(7) 0.2847(4) 0.7658(5) 0.100(3) Uani 1 d . .
H24A H 0.0767(7) 0.3183(4) 0.7890(5) 0.120 Uiso 1 calc R .
H24B H 0.0870(7) 0.2895(4) 0.7066(5) 0.120 Uiso 1 calc R .
C25 C 0.2190(7) 0.2990(3) 0.7953(5) 0.090(3) Uani 1 d . .
H25A H 0.2414(7) 0.3006(3) 0.8548(5) 0.108 Uiso 1 calc R .
H25B H 0.2321(7) 0.3426(3) 0.7747(5) 0.108 Uiso 1 calc R .
C26 C 0.2738(7) 0.2436(3) 0.7653(5) 0.084(2) Uani 1 d . .
H26A H 0.3436(7) 0.2525(3) 0.7850(5) 0.101 Uiso 1 calc R .
H26B H 0.2536(7) 0.2435(3) 0.7058(5) 0.101 Uiso 1 calc R .
C31 C 0.5497(4) 0.1509(3) 0.6409(4) 0.0547(14) Uani 1 d . .
H31 H 0.6203(4) 0.1487(3) 0.6687(4) 0.066 Uiso 1 calc R .
C32 C 0.5342(5) 0.1277(3) 0.5520(4) 0.062(2) Uani 1 d . .
H32A H 0.5550(5) 0.0810(3) 0.5515(4) 0.074 Uiso 1 calc R .
H32B H 0.4652(5) 0.1304(3) 0.5213(4) 0.074 Uiso 1 calc R .
C33 C 0.5935(7) 0.1731(5) 0.5115(6) 0.103(3) Uani 1 d . .
H33A H 0.6628(7) 0.1649(5) 0.5371(6) 0.123 Uiso 1 calc R .
H33B H 0.5780(7) 0.1612(5) 0.4539(6) 0.123 Uiso 1 calc R .
C34 C 0.5724(7) 0.2471(5) 0.5188(8) 0.124(5) Uani 1 d . .
H34A H 0.6175(7) 0.2739(5) 0.4992(8) 0.149 Uiso 1 calc R .
H34B H 0.5065(7) 0.2570(5) 0.4843(8) 0.149 Uiso 1 calc R .
C35 C 0.5817(8) 0.2668(5) 0.6047(10) 0.136(5) Uani 1 d . .
H35A H 0.5622(8) 0.3138(5) 0.6055(10) 0.163 Uiso 1 calc R .
H35B H 0.6499(8) 0.2633(5) 0.6373(10) 0.163 Uiso 1 calc R .
C36 C 0.5199(7) 0.2232(4) 0.6442(6) 0.092(3) Uani 1 d . .
H36A H 0.5307(7) 0.2370(4) 0.7008(6) 0.110 Uiso 1 calc R .
H36B H 0.4509(7) 0.2287(4) 0.6148(6) 0.110 Uiso 1 calc R .
C41 C 0.5720(6) 0.0096(6) 0.7013(7) 0.040(2) Uani 0.582(12) d PD 1
H41 H 0.5594(6) -0.0054(6) 0.6444(7) 0.048 Uiso 0.582(12) calc PR 1
C42 C 0.6835(7) 0.0238(7) 0.7347(9) 0.058(3) Uani 0.582(12) d PD 1
H42A H 0.7011(7) 0.0578(7) 0.7006(9) 0.069 Uiso 0.582(12) calc PR 1
H42B H 0.6988(7) 0.0420(7) 0.7898(9) 0.069 Uiso 0.582(12) calc PR 1
C43 C 0.7438(12) -0.0395(8) 0.7361(12) 0.063(4) Uani 0.582(12) d PD 1
H43A H 0.8125(12) -0.0291(8) 0.7617(12) 0.075 Uiso 0.582(12) calc PR 1
H43B H 0.7359(12) -0.0538(8) 0.6802(12) 0.075 Uiso 0.582(12) calc PR 1
C44 C 0.7140(8) -0.0968(7) 0.7824(9) 0.070(4) Uani 0.582(12) d PD 1
H44A H 0.7267(8) -0.0839(7) 0.8394(9) 0.084 Uiso 0.582(12) calc PR 1
H44B H 0.7529(8) -0.1367(7) 0.7806(9) 0.084 Uiso 0.582(12) calc PR 1
C45 C 0.6056(10) -0.1137(7) 0.7454(13) 0.088(5) Uani 0.582(12) d PD 1
H45A H 0.5873(10) -0.1494(7) 0.7769(13) 0.106 Uiso 0.582(12) calc PR 1
H45B H 0.5932(10) -0.1295(7) 0.6895(13) 0.106 Uiso 0.582(12) calc PR 1
C46 C 0.5441(7) -0.0488(5) 0.7465(9) 0.066(4) Uani 0.582(12) d PD 1
H46A H 0.4752(7) -0.0591(5) 0.7216(9) 0.079 Uiso 0.582(12) calc PR 1
H46B H 0.5532(7) -0.0356(5) 0.8029(9) 0.079 Uiso 0.582(12) calc PR 1
C41A C 0.5778(10) 0.0356(8) 0.7322(10) 0.048(4) Uani 0.418(12) d PD 2
H41A H 0.5699(10) 0.0236(8) 0.7855(10) 0.058 Uiso 0.418(12) calc PR 2
C42A C 0.6871(11) 0.0562(9) 0.7547(12) 0.066(5) Uani 0.418(12) d PD 2
H42C H 0.7024(11) 0.0685(9) 0.7050(12) 0.079 Uiso 0.418(12) calc PR 2
H42D H 0.6982(11) 0.0957(9) 0.7901(12) 0.079 Uiso 0.418(12) calc PR 2
C43A C 0.7548(10) -0.0001(9) 0.7975(10) 0.077(6) Uani 0.418(12) d PD 2
H43C H 0.8220(10) 0.0133(9) 0.8045(10) 0.093 Uiso 0.418(12) calc PR 2
H43D H 0.7477(10) -0.0069(9) 0.8516(10) 0.093 Uiso 0.418(12) calc PR 2
C44A C 0.7344(14) -0.0661(10) 0.7509(15) 0.061(6) Uani 0.418(12) d PD 2
H44C H 0.7520(14) -0.0615(10) 0.7007(15) 0.074 Uiso 0.418(12) calc PR 2
H44D H 0.7750(14) -0.1014(10) 0.7837(15) 0.074 Uiso 0.418(12) calc PR 2
C45A C 0.6287(12) -0.0870(9) 0.7299(16) 0.080(6) Uani 0.418(12) d PD 2
H45C H 0.6140(12) -0.0992(9) 0.7798(16) 0.096 Uiso 0.418(12) calc PR 2
H45D H 0.6180(12) -0.1267(9) 0.6949(16) 0.096 Uiso 0.418(12) calc PR 2
C46A C 0.5587(10) -0.0303(9) 0.6860(11) 0.066(5) Uani 0.418(12) d PD 2
H46C H 0.5657(10) -0.0235(9) 0.6319(11) 0.079 Uiso 0.418(12) calc PR 2
H46D H 0.4918(10) -0.0444(9) 0.6791(11) 0.079 Uiso 0.418(12) calc PR 2
Cl1 Cl -0.0427(6) -0.0724(4) 0.0456(7) 0.170(4) Uani 0.50 d PD .
C3 C -0.0007(23) -0.0488(10) 0.0052(21) 0.148(16) Uani 0.50 d PD .
Cl2 Cl -0.0478(21) -0.0249(15) -0.0509(16) 0.425(16) Uani 0.50 d PD .
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'
B B 0.0013 0.0007 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 '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
C55 Ru C56 36.5(2) . . ?
C55 Ru C53 64.8(2) . . ?
C56 Ru C53 76.2(2) . . ?
C55 Ru P1 153.95(13) . . ?
C56 Ru P1 163.42(12) . . ?
C53 Ru P1 98.44(12) . . ?
C55 Ru P2 96.29(13) . . ?
C56 Ru P2 110.41(12) . . ?
C53 Ru P2 139.75(13) . . ?
P1 Ru P2 83.95(5) . . ?
C55 Ru C52 76.0(2) . . ?
C56 Ru C52 63.7(2) . . ?
C53 Ru C52 36.1(2) . . ?
P1 Ru C52 102.63(11) . . ?
P2 Ru C52 172.30(11) . . ?
C55 Ru C54 36.4(2) . . ?
C56 Ru C54 65.2(2) . . ?
C53 Ru C54 35.6(2) . . ?
P1 Ru C54 119.09(12) . . ?
P2 Ru C54 109.11(13) . . ?
C52 Ru C54 64.3(2) . . ?
C55 Ru C51 64.9(2) . . ?
C56 Ru C51 35.59(15) . . ?
C53 Ru C51 64.5(2) . . ?
P1 Ru C51 127.93(11) . . ?
P2 Ru C51 141.55(11) . . ?
C52 Ru C51 35.35(15) . . ?
C54 Ru C51 76.29(15) . . ?
C1A P1 C21 103.6(14) . . ?
C1A P1 C11 97.1(9) . . ?
C21 P1 C11 101.9(2) . . ?
C21 P1 C1 101.3(9) . . ?
C11 P1 C1 109.8(7) . . ?
C1A P1 Ru 115.2(12) . . ?
C21 P1 Ru 119.2(2) . . ?
C11 P1 Ru 116.6(2) . . ?
C1 P1 Ru 106.8(7) . . ?
C41A P2 C31 102.1(6) . . ?
C2 P2 C31 109.1(4) . . ?
C41A P2 C2A 104.3(6) . . ?
C31 P2 C2A 88.7(2) . . ?
C2 P2 C41 97.8(5) . . ?
C31 P2 C41 100.6(3) . . ?
C41A P2 Ru 128.3(5) . . ?
C2 P2 Ru 112.4(3) . . ?
C31 P2 Ru 119.0(2) . . ?
C2A P2 Ru 106.42(12) . . ?
C41 P2 Ru 115.5(3) . . ?
C61 B C71 113.7(4) . . ?
C61 B C81 110.5(4) . . ?
C71 B C81 105.6(4) . . ?
C61 B C51 109.2(3) . . ?
C71 B C51 112.6(4) . . ?
C81 B C51 104.8(3) . . ?
C2 C1 P1 116.2(17) . . ?
C1 C2 P2 110.2(12) . . ?
C2A C1A P1 106.1(20) . . ?
C1A C2A P2 103.3(15) . . ?
C62 C61 C66 115.1(3) . . ?
C62 C61 B 123.7(2) . . ?
C66 C61 B 121.2(4) . . ?
C61 C62 C63 122.1(3) . . ?
C64 C63 C62 120.7(6) . . ?
C63 C64 C65 119.1(5) . . ?
C66 C65 C64 119.4(6) . . ?
C65 C66 C61 123.5(5) . . ?
C72 C71 C76 115.0(5) . . ?
C72 C71 B 124.2(4) . . ?
C76 C71 B 120.5(4) . . ?
C71 C72 C73 121.6(5) . . ?
C74 C73 C72 121.1(5) . . ?
C73 C74 C75 118.6(5) . . ?
C76 C75 C74 119.9(6) . . ?
C75 C76 C71 123.7(5) . . ?
C82 C81 C86 115.2(5) . . ?
C82 C81 B 126.0(4) . . ?
C86 C81 B 118.7(4) . . ?
C81 C82 C83 121.8(5) . . ?
C84 C83 C82 120.7(6) . . ?
C85 C84 C83 119.2(5) . . ?
C84 C85 C86 120.4(6) . . ?
C85 C86 C81 122.5(6) . . ?
C52 C51 C56 115.4(4) . . ?
C52 C51 B 124.9(4) . . ?
C56 C51 B 119.0(4) . . ?
C52 C51 Ru 69.0(2) . . ?
C56 C51 Ru 67.5(2) . . ?
B C51 Ru 142.1(3) . . ?
C53 C52 C51 122.6(4) . . ?
C53 C52 Ru 71.3(2) . . ?
C51 C52 Ru 75.6(2) . . ?
C54 C53 C52 120.6(4) . . ?
C54 C53 Ru 73.3(3) . . ?
C52 C53 Ru 72.6(2) . . ?
C53 C54 C55 117.9(4) . . ?
C53 C54 Ru 71.0(2) . . ?
C55 C54 Ru 69.2(2) . . ?
C56 C55 C54 120.6(4) . . ?
C56 C55 Ru 72.5(2) . . ?
C54 C55 Ru 74.4(3) . . ?
C55 C56 C51 122.5(4) . . ?
C55 C56 Ru 71.0(2) . . ?
C51 C56 Ru 76.9(2) . . ?
C12 C11 C16 111.1(5) . . ?
C12 C11 P1 111.9(4) . . ?
C16 C11 P1 114.7(4) . . ?
C11 C12 C13 111.7(5) . . ?
C14 C13 C12 112.9(6) . . ?
C15 C14 C13 109.4(6) . . ?
C14 C15 C16 114.2(7) . . ?
C11 C16 C15 109.9(6) . . ?
C22 C21 C26 109.0(6) . . ?
C22 C21 P1 114.1(4) . . ?
C26 C21 P1 113.4(4) . . ?
C21 C22 C23 110.2(6) . . ?
C24 C23 C22 112.0(8) . . ?
C23 C24 C25 113.5(7) . . ?
C24 C25 C26 109.8(6) . . ?
C25 C26 C21 109.9(6) . . ?
C36 C31 C32 111.3(6) . . ?
C36 C31 P2 112.9(5) . . ?
C32 C31 P2 112.2(4) . . ?
C33 C32 C31 109.8(6) . . ?
C34 C33 C32 112.0(7) . . ?
C35 C34 C33 112.1(8) . . ?
C34 C35 C36 113.5(8) . . ?
C31 C36 C35 108.0(7) . . ?
C46 C41 C42 110.6(8) . . ?
C46 C41 P2 114.4(7) . . ?
C42 C41 P2 112.5(9) . . ?
C43 C42 C41 112.1(12) . . ?
C42 C43 C44 112.0(13) . . ?
C43 C44 C45 111.0(13) . . ?
C44 C45 C46 108.9(12) . . ?
C41 C46 C45 112.5(11) . . ?
C46A C41A C42A 111.5(12) . . ?
C46A C41A P2 113.9(11) . . ?
C42A C41A P2 119.8(11) . . ?
C43A C42A C41A 112.3(14) . . ?
C44A C43A C42A 112.6(14) . . ?
C45A C44A C43A 112.5(16) . . ?
C44A C45A C46A 112.3(15) . . ?
C41A C46A C45A 112.6(14) . . ?
C3 Cl1 Cl2 32.3(16) . . ?
C3 Cl1 Cl2 44.8(18) . 3 ?
Cl2 Cl1 Cl2 59.4(12) . 3 ?
Cl2 C3 Cl1 114.0(33) . . ?
Cl2 C3 Cl2 95.3(20) . 3 ?
Cl1 C3 Cl2 106.8(28) . 3 ?
Cl2 C3 C3 60.9(14) . 3 ?
Cl1 C3 C3 118.9(31) . 3 ?
Cl2 C3 C3 34.5(12) 3 3 ?
C3 Cl2 C3 84.7(20) . 3 ?
C3 Cl2 Cl1 33.8(18) . . ?
C3 Cl2 Cl1 97.0(18) 3 . ?
C3 Cl2 Cl2 53.4(18) . 3 ?
C3 Cl2 Cl2 31.3(8) 3 3 ?
Cl1 Cl2 Cl2 70.4(16) . 3 ?
C3 Cl2 Cl1 97.7(23) . 3 ?
C3 Cl2 Cl1 28.4(12) 3 3 ?
Cl1 Cl2 Cl1 120.6(12) . 3 ?
Cl2 Cl2 Cl1 50.3(10) 3 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
Ru C55 2.234(4) . ?
Ru C56 2.253(4) . ?
Ru C53 2.272(4) . ?
Ru P1 2.2803(13) . ?
Ru P2 2.286(2) . ?
Ru C52 2.288(4) . ?
Ru C54 2.301(4) . ?
Ru C51 2.374(4) . ?
P1 C1A 1.80(4) . ?
P1 C21 1.841(5) . ?
P1 C11 1.856(5) . ?
P1 C1 1.88(3) . ?
P2 C41A 1.658(14) . ?
P2 C2 1.828(8) . ?
P2 C31 1.834(6) . ?
P2 C2A 1.936(4) . ?
P2 C41 2.003(11) . ?
B C61 1.641(6) . ?
B C71 1.644(7) . ?
B C81 1.653(7) . ?
B C51 1.661(6) . ?
C1 C2 1.41(3) . ?
C1A C2A 1.73(3) . ?
C61 C62 1.39 . ?
C61 C66 1.405(6) . ?
C62 C63 1.407(7) . ?
C63 C64 1.367(9) . ?
C64 C65 1.392(10) . ?
C65 C66 1.386(8) . ?
C71 C72 1.403(7) . ?
C71 C76 1.403(7) . ?
C72 C73 1.403(8) . ?
C73 C74 1.379(9) . ?
C74 C75 1.385(9) . ?
C75 C76 1.381(8) . ?
C81 C82 1.391(7) . ?
C81 C86 1.400(7) . ?
C82 C83 1.398(7) . ?
C83 C84 1.362(9) . ?
C84 C85 1.359(10) . ?
C85 C86 1.387(8) . ?
C51 C52 1.418(6) . ?
C51 C56 1.419(6) . ?
C52 C53 1.411(6) . ?
C53 C54 1.400(7) . ?
C54 C55 1.419(7) . ?
C55 C56 1.406(6) . ?
C11 C12 1.529(8) . ?
C11 C16 1.547(8) . ?
C12 C13 1.532(8) . ?
C13 C14 1.497(11) . ?
C14 C15 1.460(12) . ?
C15 C16 1.567(11) . ?
C21 C22 1.510(8) . ?
C21 C26 1.533(8) . ?
C22 C23 1.543(9) . ?
C23 C24 1.486(13) . ?
C24 C25 1.512(13) . ?
C25 C26 1.520(9) . ?
C31 C36 1.495(9) . ?
C31 C32 1.537(8) . ?
C32 C33 1.536(9) . ?
C33 C34 1.502(14) . ?
C34 C35 1.49(2) . ?
C35 C36 1.530(13) . ?
C41 C46 1.507(12) . ?
C41 C42 1.551(13) . ?
C42 C43 1.51(2) . ?
C43 C44 1.51(2) . ?
C44 C45 1.52(2) . ?
C45 C46 1.56(2) . ?
C41A C46A 1.50(2) . ?
C41A C42A 1.55(2) . ?
C42A C43A 1.51(2) . ?
C43A C44A 1.51(2) . ?
C44A C45A 1.50(2) . ?
C45A C46A 1.54(2) . ?
Cl1 C3 1.14(3) . ?
Cl1 Cl2 1.88(3) . ?
Cl1 Cl2 2.30(2) 3 ?
C3 Cl2 1.10(3) . ?
C3 Cl2 1.69(3) 3 ?
C3 C3 1.93(4) 3 ?
Cl2 C3 1.69(3) 3 ?
Cl2 Cl2 2.10(4) 3 ?
Cl2 Cl1 2.30(2) 3 ?
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
C55 Ru P1 C1A 95.0(13) . . . . ?
C56 Ru P1 C1A -147.8(13) . . . . ?
C53 Ru P1 C1A 142.5(13) . . . . ?
P2 Ru P1 C1A 3.0(13) . . . . ?
C52 Ru P1 C1A 179.0(13) . . . . ?
C54 Ru P1 C1A 111.6(13) . . . . ?
C51 Ru P1 C1A -153.3(13) . . . . ?
C55 Ru P1 C21 -141.0(3) . . . . ?
C56 Ru P1 C21 -23.7(5) . . . . ?
C53 Ru P1 C21 -93.4(2) . . . . ?
P2 Ru P1 C21 127.1(2) . . . . ?
C52 Ru P1 C21 -57.0(2) . . . . ?
C54 Ru P1 C21 -124.4(2) . . . . ?
C51 Ru P1 C21 -29.2(2) . . . . ?
C55 Ru P1 C11 -17.9(4) . . . . ?
C56 Ru P1 C11 99.3(5) . . . . ?
C53 Ru P1 C11 29.6(2) . . . . ?
P2 Ru P1 C11 -109.9(2) . . . . ?
C52 Ru P1 C11 66.1(2) . . . . ?
C54 Ru P1 C11 -1.4(2) . . . . ?
C51 Ru P1 C11 93.8(2) . . . . ?
C55 Ru P1 C1 105.2(9) . . . . ?
C56 Ru P1 C1 -137.5(9) . . . . ?
C53 Ru P1 C1 152.8(8) . . . . ?
P2 Ru P1 C1 13.3(8) . . . . ?
C52 Ru P1 C1 -170.8(8) . . . . ?
C54 Ru P1 C1 121.8(8) . . . . ?
C51 Ru P1 C1 -143.0(8) . . . . ?
C55 Ru P2 C41A -58.8(8) . . . . ?
C56 Ru P2 C41A -93.6(8) . . . . ?
C53 Ru P2 C41A -1.0(8) . . . . ?
P1 Ru P2 C41A 95.0(8) . . . . ?
C52 Ru P2 C41A -54.0(11) . . . . ?
C54 Ru P2 C41A -23.8(8) . . . . ?
C51 Ru P2 C41A -115.7(8) . . . . ?
C55 Ru P2 C2 -151.6(4) . . . . ?
C56 Ru P2 C2 173.6(4) . . . . ?
C53 Ru P2 C2 -93.8(5) . . . . ?
P1 Ru P2 C2 2.2(4) . . . . ?
C52 Ru P2 C2 -146.8(9) . . . . ?
C54 Ru P2 C2 -116.6(4) . . . . ?
C51 Ru P2 C2 151.5(5) . . . . ?
C55 Ru P2 C31 79.2(2) . . . . ?
C56 Ru P2 C31 44.4(2) . . . . ?
C53 Ru P2 C31 137.0(3) . . . . ?
P1 Ru P2 C31 -127.0(2) . . . . ?
C52 Ru P2 C31 84.0(9) . . . . ?
C54 Ru P2 C31 114.2(2) . . . . ?
C51 Ru P2 C31 22.3(3) . . . . ?
C55 Ru P2 C2A 177.0(2) . . . . ?
C56 Ru P2 C2A 142.3(2) . . . . ?
C53 Ru P2 C2A -125.1(2) . . . . ?
P1 Ru P2 C2A -29.18(12) . . . . ?
C52 Ru P2 C2A -178.1(8) . . . . ?
C54 Ru P2 C2A -147.9(2) . . . . ?
C51 Ru P2 C2A 120.2(2) . . . . ?
C55 Ru P2 C41 -40.6(4) . . . . ?
C56 Ru P2 C41 -75.3(4) . . . . ?
C53 Ru P2 C41 17.3(4) . . . . ?
P1 Ru P2 C41 113.2(4) . . . . ?
C52 Ru P2 C41 -35.7(9) . . . . ?
C54 Ru P2 C41 -5.5(4) . . . . ?
C51 Ru P2 C41 -97.4(4) . . . . ?
C1A P1 C1 C2 99.2(101) . . . . ?
C21 P1 C1 C2 -159.1(13) . . . . ?
C11 P1 C1 C2 93.7(14) . . . . ?
Ru P1 C1 C2 -33.6(16) . . . . ?
P1 C1 C2 P2 35.7(17) . . . . ?
C41A P2 C2 C1 -149.6(14) . . . . ?
C31 P2 C2 C1 111.5(12) . . . . ?
C2A P2 C2 C1 61.6(13) . . . . ?
C41 P2 C2 C1 -144.4(12) . . . . ?
Ru P2 C2 C1 -22.7(13) . . . . ?
C21 P1 C1A C2A -104.6(18) . . . . ?
C11 P1 C1A C2A 151.2(16) . . . . ?
C1 P1 C1A C2A -23.5(79) . . . . ?
Ru P1 C1A C2A 27.3(23) . . . . ?
P1 C1A C2A P2 -47.9(20) . . . . ?
C41A P2 C2A C1A -86.5(15) . . . . ?
C2 P2 C2A C1A -55.0(14) . . . . ?
C31 P2 C2A C1A 171.3(14) . . . . ?
C41 P2 C2A C1A -86.7(14) . . . . ?
Ru P2 C2A C1A 51.4(14) . . . . ?
C71 B C61 C62 -123.2(3) . . . . ?
C81 B C61 C62 -4.6(4) . . . . ?
C51 B C61 C62 110.1(3) . . . . ?
C71 B C61 C66 57.8(5) . . . . ?
C81 B C61 C66 176.4(4) . . . . ?
C51 B C61 C66 -68.9(5) . . . . ?
C66 C61 C62 C63 -0.6(4) . . . . ?
B C61 C62 C63 -179.7(5) . . . . ?
C61 C62 C63 C64 -1.5(7) . . . . ?
C62 C63 C64 C65 1.8(9) . . . . ?
C63 C64 C65 C66 -0.1(9) . . . . ?
C64 C65 C66 C61 -2.1(9) . . . . ?
C62 C61 C66 C65 2.4(6) . . . . ?
B C61 C66 C65 -178.5(5) . . . . ?
C61 B C71 C72 -4.5(6) . . . . ?
C81 B C71 C72 -125.8(5) . . . . ?
C51 B C71 C72 120.4(5) . . . . ?
C61 B C71 C76 170.7(4) . . . . ?
C81 B C71 C76 49.4(6) . . . . ?
C51 B C71 C76 -64.4(6) . . . . ?
C76 C71 C72 C73 1.9(7) . . . . ?
B C71 C72 C73 177.3(5) . . . . ?
C71 C72 C73 C74 -0.6(9) . . . . ?
C72 C73 C74 C75 -0.3(9) . . . . ?
C73 C74 C75 C76 -0.3(10) . . . . ?
C74 C75 C76 C71 1.9(9) . . . . ?
C72 C71 C76 C75 -2.6(8) . . . . ?
B C71 C76 C75 -178.2(5) . . . . ?
C61 B C81 C82 118.0(5) . . . . ?
C71 B C81 C82 -118.6(5) . . . . ?
C51 B C81 C82 0.5(6) . . . . ?
C61 B C81 C86 -62.2(6) . . . . ?
C71 B C81 C86 61.2(6) . . . . ?
C51 B C81 C86 -179.6(5) . . . . ?
C86 C81 C82 C83 1.7(8) . . . . ?
B C81 C82 C83 -178.5(5) . . . . ?
C81 C82 C83 C84 0.3(9) . . . . ?
C82 C83 C84 C85 -1.4(10) . . . . ?
C83 C84 C85 C86 0.4(10) . . . . ?
C84 C85 C86 C81 1.8(10) . . . . ?
C82 C81 C86 C85 -2.7(9) . . . . ?
B C81 C86 C85 177.4(6) . . . . ?
C61 B C51 C52 147.0(4) . . . . ?
C71 B C51 C52 19.6(6) . . . . ?
C81 B C51 C52 -94.6(5) . . . . ?
C61 B C51 C56 -43.5(5) . . . . ?
C71 B C51 C56 -170.9(4) . . . . ?
C81 B C51 C56 74.8(5) . . . . ?
C61 B C51 Ru 46.5(6) . . . . ?
C71 B C51 Ru -80.9(6) . . . . ?
C81 B C51 Ru 164.8(4) . . . . ?
C55 Ru C51 C52 101.5(3) . . . . ?
C56 Ru C51 C52 131.0(4) . . . . ?
C53 Ru C51 C52 28.8(3) . . . . ?
P1 Ru C51 C52 -51.7(3) . . . . ?
P2 Ru C51 C52 168.2(2) . . . . ?
C52 Ru C51 C52 0.0 . . . . ?
C54 Ru C51 C52 64.7(3) . . . . ?
C55 Ru C51 C56 -29.5(3) . . . . ?
C56 Ru C51 C56 0.000(1) . . . . ?
C53 Ru C51 C56 -102.2(3) . . . . ?
P1 Ru C51 C56 177.3(2) . . . . ?
P2 Ru C51 C56 37.3(3) . . . . ?
C52 Ru C51 C56 -131.0(4) . . . . ?
C54 Ru C51 C56 -66.3(3) . . . . ?
C55 Ru C51 B -138.3(5) . . . . ?
C56 Ru C51 B -108.8(6) . . . . ?
C53 Ru C51 B 149.0(5) . . . . ?
P1 Ru C51 B 68.5(5) . . . . ?
P2 Ru C51 B -71.5(5) . . . . ?
C52 Ru C51 B 120.2(6) . . . . ?
C54 Ru C51 B -175.1(5) . . . . ?
C56 C51 C52 C53 -5.7(6) . . . . ?
B C51 C52 C53 164.1(4) . . . . ?
Ru C51 C52 C53 -56.2(4) . . . . ?
C56 C51 C52 Ru 50.6(3) . . . . ?
B C51 C52 Ru -139.6(4) . . . . ?
Ru C51 C52 Ru 0.0 . . . . ?
C55 Ru C52 C53 66.2(3) . . . . ?
C56 Ru C52 C53 103.0(3) . . . . ?
C53 Ru C52 C53 0.0 . . . . ?
P1 Ru C52 C53 -87.0(3) . . . . ?
P2 Ru C52 C53 61.3(9) . . . . ?
C54 Ru C52 C53 29.4(3) . . . . ?
C51 Ru C52 C53 132.4(4) . . . . ?
C55 Ru C52 C51 -66.1(3) . . . . ?
C56 Ru C52 C51 -29.3(2) . . . . ?
C53 Ru C52 C51 -132.4(4) . . . . ?
P1 Ru C52 C51 140.6(2) . . . . ?
P2 Ru C52 C51 -71.1(9) . . . . ?
C54 Ru C52 C51 -103.0(3) . . . . ?
C51 Ru C52 C51 0.0 . . . . ?
C51 C52 C53 C54 0.5(6) . . . . ?
Ru C52 C53 C54 -57.7(4) . . . . ?
C51 C52 C53 Ru 58.2(4) . . . . ?
Ru C52 C53 Ru 0.0 . . . . ?
C55 Ru C53 C54 29.5(3) . . . . ?
C56 Ru C53 C54 66.5(3) . . . . ?
P1 Ru C53 C54 -129.5(2) . . . . ?
P2 Ru C53 C54 -38.9(3) . . . . ?
C52 Ru C53 C54 130.6(4) . . . . ?
C54 Ru C53 C54 0.0 . . . . ?
C51 Ru C53 C54 102.3(3) . . . . ?
C55 Ru C53 C52 -101.1(3) . . . . ?
C56 Ru C53 C52 -64.1(3) . . . . ?
P1 Ru C53 C52 99.9(2) . . . . ?
P2 Ru C53 C52 -169.5(2) . . . . ?
C52 Ru C53 C52 0.0 . . . . ?
C54 Ru C53 C52 -130.6(4) . . . . ?
C51 Ru C53 C52 -28.3(2) . . . . ?
C52 C53 C54 C55 4.7(6) . . . . ?
Ru C53 C54 C55 -52.6(4) . . . . ?
C52 C53 C54 Ru 57.3(4) . . . . ?
Ru C53 C54 Ru 0.0 . . . . ?
C55 Ru C54 C53 -131.4(4) . . . . ?
C56 Ru C54 C53 -101.2(3) . . . . ?
C53 Ru C54 C53 0.0 . . . . ?
P1 Ru C54 C53 60.8(3) . . . . ?
P2 Ru C54 C53 154.6(2) . . . . ?
C52 Ru C54 C53 -29.7(3) . . . . ?
C51 Ru C54 C53 -65.2(3) . . . . ?
C55 Ru C54 C55 0.0 . . . . ?
C56 Ru C54 C55 30.2(3) . . . . ?
C53 Ru C54 C55 131.4(4) . . . . ?
P1 Ru C54 C55 -167.8(2) . . . . ?
P2 Ru C54 C55 -74.1(3) . . . . ?
C52 Ru C54 C55 101.6(3) . . . . ?
C51 Ru C54 C55 66.1(3) . . . . ?
C53 C54 C55 C56 -4.6(6) . . . . ?
Ru C54 C55 C56 -58.1(4) . . . . ?
C53 C54 C55 Ru 53.5(4) . . . . ?
Ru C54 C55 Ru 0.0 . . . . ?
C56 Ru C55 C56 0.000(2) . . . . ?
C53 Ru C55 C56 101.0(3) . . . . ?
P1 Ru C55 C56 154.8(2) . . . . ?
P2 Ru C55 C56 -116.2(3) . . . . ?
C52 Ru C55 C56 64.5(3) . . . . ?
C54 Ru C55 C56 129.9(4) . . . . ?
C51 Ru C55 C56 28.8(3) . . . . ?
C56 Ru C55 C54 -129.9(4) . . . . ?
C53 Ru C55 C54 -28.9(3) . . . . ?
P1 Ru C55 C54 24.8(5) . . . . ?
P2 Ru C55 C54 113.9(3) . . . . ?
C52 Ru C55 C54 -65.4(3) . . . . ?
C54 Ru C55 C54 0.0 . . . . ?
C51 Ru C55 C54 -101.2(3) . . . . ?
C54 C55 C56 C51 -0.8(6) . . . . ?
Ru C55 C56 C51 -59.8(4) . . . . ?
C54 C55 C56 Ru 59.0(4) . . . . ?
Ru C55 C56 Ru 0.000(1) . . . . ?
C52 C51 C56 C55 5.8(6) . . . . ?
B C51 C56 C55 -164.7(4) . . . . ?
Ru C51 C56 C55 57.0(4) . . . . ?
C52 C51 C56 Ru -51.3(3) . . . . ?
B C51 C56 Ru 138.3(3) . . . . ?
Ru C51 C56 Ru 0.000(1) . . . . ?
C55 Ru C56 C55 0.000(2) . . . . ?
C53 Ru C56 C55 -66.2(3) . . . . ?
P1 Ru C56 C55 -139.0(4) . . . . ?
P2 Ru C56 C55 72.2(3) . . . . ?
C52 Ru C56 C55 -102.4(3) . . . . ?
C54 Ru C56 C55 -30.1(3) . . . . ?
C51 Ru C56 C55 -131.5(4) . . . . ?
C55 Ru C56 C51 131.5(4) . . . . ?
C53 Ru C56 C51 65.3(3) . . . . ?
P1 Ru C56 C51 -7.5(6) . . . . ?
P2 Ru C56 C51 -156.3(2) . . . . ?
C52 Ru C56 C51 29.2(2) . . . . ?
C54 Ru C56 C51 101.4(3) . . . . ?
C51 Ru C56 C51 0.000(1) . . . . ?
C1A P1 C11 C12 -72.2(14) . . . . ?
C21 P1 C11 C12 -177.7(4) . . . . ?
C1 P1 C11 C12 -71.0(10) . . . . ?
Ru P1 C11 C12 50.7(4) . . . . ?
C1A P1 C11 C16 55.6(14) . . . . ?
C21 P1 C11 C16 -50.0(5) . . . . ?
C1 P1 C11 C16 56.8(10) . . . . ?
Ru P1 C11 C16 178.4(4) . . . . ?
C16 C11 C12 C13 51.9(7) . . . . ?
P1 C11 C12 C13 -178.4(4) . . . . ?
C11 C12 C13 C14 -55.9(8) . . . . ?
C12 C13 C14 C15 57.4(9) . . . . ?
C13 C14 C15 C16 -57.2(10) . . . . ?
C12 C11 C16 C15 -50.1(8) . . . . ?
P1 C11 C16 C15 -178.2(6) . . . . ?
C14 C15 C16 C11 54.6(10) . . . . ?
C1A P1 C21 C22 -167.1(10) . . . . ?
C11 P1 C21 C22 -66.6(5) . . . . ?
C1 P1 C21 C22 -179.9(7) . . . . ?
Ru P1 C21 C22 63.4(5) . . . . ?
C1A P1 C21 C26 67.3(11) . . . . ?
C11 P1 C21 C26 167.8(5) . . . . ?
C1 P1 C21 C26 54.5(8) . . . . ?
Ru P1 C21 C26 -62.2(5) . . . . ?
C26 C21 C22 C23 -58.7(8) . . . . ?
P1 C21 C22 C23 173.4(6) . . . . ?
C21 C22 C23 C24 54.0(9) . . . . ?
C22 C23 C24 C25 -51.8(10) . . . . ?
C23 C24 C25 C26 54.1(10) . . . . ?
C24 C25 C26 C21 -58.5(9) . . . . ?
C22 C21 C26 C25 62.1(8) . . . . ?
P1 C21 C26 C25 -169.6(5) . . . . ?
C41A P2 C31 C36 -146.4(8) . . . . ?
C2 P2 C31 C36 -64.6(7) . . . . ?
C2A P2 C31 C36 -42.1(5) . . . . ?
C41 P2 C31 C36 -166.8(6) . . . . ?
Ru P2 C31 C36 66.1(6) . . . . ?
C41A P2 C31 C32 86.8(7) . . . . ?
C2 P2 C31 C32 168.6(5) . . . . ?
C2A P2 C31 C32 -168.8(5) . . . . ?
C41 P2 C31 C32 66.4(6) . . . . ?
Ru P2 C31 C32 -60.7(5) . . . . ?
C36 C31 C32 C33 58.5(8) . . . . ?
P2 C31 C32 C33 -173.9(5) . . . . ?
C31 C32 C33 C34 -53.0(11) . . . . ?
C32 C33 C34 C35 51.2(12) . . . . ?
C33 C34 C35 C36 -54.0(12) . . . . ?
C32 C31 C36 C35 -59.3(9) . . . . ?
P2 C31 C36 C35 173.5(7) . . . . ?
C34 C35 C36 C31 57.4(12) . . . . ?
C41A P2 C41 C46 82.1(20) . . . . ?
C2 P2 C41 C46 67.3(10) . . . . ?
C31 P2 C41 C46 178.5(9) . . . . ?
C2A P2 C41 C46 82.7(10) . . . . ?
Ru P2 C41 C46 -52.2(10) . . . . ?
C41A P2 C41 C42 -45.3(18) . . . . ?
C2 P2 C41 C42 -60.1(8) . . . . ?
C31 P2 C41 C42 51.1(8) . . . . ?
C2A P2 C41 C42 -44.7(9) . . . . ?
Ru P2 C41 C42 -179.5(7) . . . . ?
C46 C41 C42 C43 52.1(16) . . . . ?
P2 C41 C42 C43 -178.6(10) . . . . ?
C41 C42 C43 C44 -54.0(19) . . . . ?
C42 C43 C44 C45 57.5(21) . . . . ?
C43 C44 C45 C46 -57.6(19) . . . . ?
C42 C41 C46 C45 -54.1(16) . . . . ?
P2 C41 C46 C45 177.5(9) . . . . ?
C44 C45 C46 C41 57.3(17) . . . . ?
C2 P2 C41A C46A 148.8(14) . . . . ?
C31 P2 C41A C46A -103.9(13) . . . . ?
C2A P2 C41A C46A 164.3(12) . . . . ?
C41 P2 C41A C46A -16.2(14) . . . . ?
Ru P2 C41A C46A 39.3(16) . . . . ?
C2 P2 C41A C42A -75.6(14) . . . . ?
C31 P2 C41A C42A 31.7(15) . . . . ?
C2A P2 C41A C42A -60.1(14) . . . . ?
C41 P2 C41A C42A 119.4(26) . . . . ?
Ru P2 C41A C42A 174.9(10) . . . . ?
C46A C41A C42A C43A -51.8(20) . . . . ?
P2 C41A C42A C43A 171.6(13) . . . . ?
C41A C42A C43A C44A 52.2(21) . . . . ?
C42A C43A C44A C45A -52.9(23) . . . . ?
C43A C44A C45A C46A 52.5(26) . . . . ?
C42A C41A C46A C45A 51.7(22) . . . . ?
P2 C41A C46A C45A -169.0(14) . . . . ?
C44A C45A C46A C41A -52.7(25) . . . . ?
Cl2 Cl1 C3 Cl2 0.000(1) . . . . ?
Cl2 Cl1 C3 Cl2 -103.9(27) 3 . . . ?
Cl2 Cl1 C3 Cl2 103.9(27) . . . 3 ?
Cl2 Cl1 C3 Cl2 0.0 3 . . 3 ?
Cl2 Cl1 C3 C3 68.7(25) . . . 3 ?
Cl2 Cl1 C3 C3 -35.2(19) 3 . . 3 ?
Cl1 C3 Cl2 C3 111.0(33) . . . 3 ?
Cl2 C3 Cl2 C3 0.000(2) 3 . . 3 ?
C3 C3 Cl2 C3 0.0 3 . . 3 ?
Cl1 C3 Cl2 Cl1 0.000(1) . . . . ?
Cl2 C3 Cl2 Cl1 -111.0(33) 3 . . . ?
C3 C3 Cl2 Cl1 -111.0(33) 3 . . . ?
Cl1 C3 Cl2 Cl2 111.0(33) . . . 3 ?
Cl2 C3 Cl2 Cl2 0.0 3 . . 3 ?
C3 C3 Cl2 Cl2 0.000(2) 3 . . 3 ?
Cl1 C3 Cl2 Cl1 136.3(23) . . . 3 ?
Cl2 C3 Cl2 Cl1 25.3(15) 3 . . 3 ?
C3 C3 Cl2 Cl1 25.3(15) 3 . . 3 ?
C3 Cl1 Cl2 C3 0.0 . . . . ?
Cl2 Cl1 Cl2 C3 52.7(29) 3 . . . ?
C3 Cl1 Cl2 C3 -69.5(33) . . . 3 ?
Cl2 Cl1 Cl2 C3 -16.8(11) 3 . . 3 ?
C3 Cl1 Cl2 Cl2 -52.7(29) . . . 3 ?
Cl2 Cl1 Cl2 Cl2 0.0 3 . . 3 ?
C3 Cl1 Cl2 Cl1 -52.7(29) . . . 3 ?
Cl2 Cl1 Cl2 Cl1 0.000(3) 3 . . 3 ?
