#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/02/7000202.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_7000202
loop_
_publ_author_name
'Bruce, Michael I.'
'Burgun, Aléxandre'
'Kramarczuk, Kathy A.'
'Nicholson, Brian K.'
'Parker, Christian R.'
'Skelton, Brian W.'
'White, Allan H.'
'Zaitseva, Natasha N.'
_publ_section_title
;
 Tricyanovinylalkynyl--metal complexes: synthesis and some reactions
;
_journal_issue                   1
_journal_name_full               'Dalton Transactions'
_journal_page_first              33
_journal_page_last               36
_journal_paper_doi               10.1039/b810720c
_journal_year                    2009
_chemical_formula_moiety         'C82 H78 N2 P4 Ru2'
_chemical_formula_sum            'C82 H78 N2 P4 Ru2'
_chemical_formula_weight         1417.48
_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_date             2007-01-21T19:28:48-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_cell_angle_alpha                93.810(10)
_cell_angle_beta                 91.45(2)
_cell_angle_gamma                106.450(10)
_cell_formula_units_Z            2
_cell_length_a                   11.076(2)
_cell_length_b                   17.427(2)
_cell_length_c                   19.294(4)
_cell_measurement_reflns_used    7916
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      29.6602
_cell_measurement_theta_min      2.3726
_cell_volume                     3560.0(11)
_computing_cell_refinement
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_collection
;
CrysAlis CCD, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_data_reduction
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
;
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_area_resol_mean 16.0009
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type
;
Oxford Diffraction Xcalibur diffractometer
;
_diffrn_measurement_method       'φ and ω scans'
_diffrn_orient_matrix_UB_11      -0.0363714661
_diffrn_orient_matrix_UB_12      -0.0048223138
_diffrn_orient_matrix_UB_13      -0.0319584852
_diffrn_orient_matrix_UB_21      -0.0567942739
_diffrn_orient_matrix_UB_22      -0.0119433948
_diffrn_orient_matrix_UB_23      0.0181693762
_diffrn_orient_matrix_UB_31      -0.0009724483
_diffrn_orient_matrix_UB_32      0.0408969355
_diffrn_orient_matrix_UB_33      0.0046962792
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0923
_diffrn_reflns_av_unetI/netI     0.214
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -22
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            38834
_diffrn_reflns_theta_full        27
_diffrn_reflns_theta_max         27
_diffrn_reflns_theta_min         2.55
_exptl_absorpt_coefficient_mu    0.559
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.74263
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.322
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             1464
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.042
_refine_diff_density_max         2.205
_refine_diff_density_min         -0.959
_refine_diff_density_rms         0.141
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.014
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     821
_refine_ls_number_reflns         15516
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.1354
_refine_ls_R_factor_gt           0.0672
_refine_ls_shift/su_max          0.009
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0529P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1397
_refine_ls_wR_factor_ref         0.1546
_reflns_number_gt                8084
_reflns_number_total             15516
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            b810720c.txt
_cod_data_source_block           br1308
_cod_original_sg_symbol_Hall     -p_1
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7000202
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
Ru1 Ru 0.61403(5) 0.17615(3) 0.29604(3) 0.02098(14) Uani 1 1 d . . .
Ru2 Ru 0.83654(5) 0.73994(3) 0.18525(3) 0.02153(14) Uani 1 1 d . . .
C1 C 0.5306(6) 0.2628(3) 0.2887(3) 0.0249(14) Uani 1 1 d . . .
C2 C 0.4749(6) 0.3144(3) 0.2841(3) 0.0257(15) Uani 1 1 d . . .
C3 C 0.4160(6) 0.3765(3) 0.2768(3) 0.0245(14) Uani 1 1 d . . .
C31 C 0.3025(6) 0.3756(3) 0.3057(3) 0.0247(14) Uani 1 1 d . . .
C32 C 0.2387(6) 0.4353(4) 0.2932(3) 0.0307(16) Uani 1 1 d . . .
N32 N 0.1862(6) 0.4832(3) 0.2826(3) 0.0443(16) Uani 1 1 d . . .
C33 C 0.2409(6) 0.3118(4) 0.3476(3) 0.0270(15) Uani 1 1 d . . .
N33 N 0.1956(5) 0.2614(3) 0.3832(3) 0.0414(15) Uani 1 1 d . . .
C4 C 0.4828(6) 0.4433(4) 0.2413(3) 0.0277(15) Uani 1 1 d . . .
C5 C 0.5541(6) 0.5017(4) 0.2169(3) 0.0290(15) Uani 1 1 d . . .
C6 C 0.6370(6) 0.5681(3) 0.1925(3) 0.0269(15) Uani 1 1 d . . .
C7 C 0.7191(6) 0.6309(4) 0.1840(3) 0.0272(15) Uani 1 1 d . . .
P11 P 0.76269(15) 0.26336(8) 0.23636(8) 0.0222(4) Uani 1 1 d . . .
C111 C 0.9085(5) 0.2384(3) 0.2133(3) 0.0229(14) Uani 1 1 d . . .
C112 C 0.9318(6) 0.1685(3) 0.2367(3) 0.0238(14) Uani 1 1 d . . .
H112 H 0.8695 0.1323 0.2609 0.029 Uiso 1 1 calc R . .
C113 C 1.0464(6) 0.1527(4) 0.2242(3) 0.0299(15) Uani 1 1 d . . .
H113 H 1.0609 0.105 0.2389 0.036 Uiso 1 1 calc R . .
C114 C 1.1376(6) 0.2056(4) 0.1909(3) 0.0345(16) Uani 1 1 d . . .
H114 H 1.2163 0.1952 0.184 0.041 Uiso 1 1 calc R . .
C115 C 1.1164(6) 0.2753(4) 0.1669(3) 0.0298(15) Uani 1 1 d . . .
H115 H 1.1797 0.3115 0.1432 0.036 Uiso 1 1 calc R . .
C116 C 1.0034(6) 0.2905(3) 0.1780(3) 0.0244(14) Uani 1 1 d . . .
H116 H 0.9889 0.3374 0.1614 0.029 Uiso 1 1 calc R . .
C121 C 0.7222(5) 0.3007(3) 0.1553(3) 0.0248(14) Uani 1 1 d . . .
C122 C 0.7284(6) 0.3813(3) 0.1475(3) 0.0323(16) Uani 1 1 d . . .
H122 H 0.752 0.4192 0.1867 0.039 Uiso 1 1 calc R . .
C123 C 0.7013(6) 0.4071(4) 0.0844(4) 0.0376(18) Uani 1 1 d . . .
H123 H 0.71 0.4625 0.0806 0.045 Uiso 1 1 calc R . .
C124 C 0.6610(6) 0.3530(4) 0.0259(3) 0.0352(17) Uani 1 1 d . . .
H124 H 0.641 0.3705 -0.0174 0.042 Uiso 1 1 calc R . .
C125 C 0.6514(7) 0.2728(4) 0.0332(4) 0.0440(19) Uani 1 1 d . . .
H125 H 0.6243 0.2349 -0.0058 0.053 Uiso 1 1 calc R . .
C126 C 0.6803(7) 0.2467(4) 0.0961(3) 0.0407(18) Uani 1 1 d . . .
H126 H 0.6718 0.1913 0.0994 0.049 Uiso 1 1 calc R . .
C110 C 0.8311(5) 0.3567(3) 0.2954(3) 0.0202(13) Uani 1 1 d . . .
H11A H 0.9062 0.3918 0.2751 0.024 Uiso 1 1 calc R . .
H11B H 0.7682 0.3868 0.3021 0.024 Uiso 1 1 calc R . .
C120 C 0.8672(6) 0.3300(3) 0.3644(3) 0.0259(14) Uani 1 1 d . . .
H12A H 0.8866 0.3757 0.4001 0.031 Uiso 1 1 calc R . .
H12B H 0.9435 0.3115 0.3595 0.031 Uiso 1 1 calc R . .
P12 P 0.73418(15) 0.24644(9) 0.39196(8) 0.0223(4) Uani 1 1 d . . .
C131 C 0.8130(5) 0.1890(3) 0.4456(3) 0.0224(14) Uani 1 1 d . . .
C132 C 0.9175(6) 0.1672(3) 0.4227(3) 0.0259(14) Uani 1 1 d . . .
H132 H 0.9536 0.187 0.381 0.031 Uiso 1 1 calc R . .
C133 C 0.9710(6) 0.1176(3) 0.4584(3) 0.0297(15) Uani 1 1 d . . .
H133 H 1.0422 0.1038 0.4409 0.036 Uiso 1 1 calc R . .
C134 C 0.9208(6) 0.0884(3) 0.5193(3) 0.0304(16) Uani 1 1 d . . .
H134 H 0.9556 0.0532 0.5433 0.036 Uiso 1 1 calc R . .
C135 C 0.8188(6) 0.1108(3) 0.5452(3) 0.0308(16) Uani 1 1 d . . .
H135 H 0.7851 0.092 0.5878 0.037 Uiso 1 1 calc R . .
C136 C 0.7657(6) 0.1611(3) 0.5088(3) 0.0266(15) Uani 1 1 d . . .
H136 H 0.6965 0.1766 0.5271 0.032 Uiso 1 1 calc R . .
C141 C 0.6594(6) 0.2973(3) 0.4572(3) 0.0240(14) Uani 1 1 d . . .
C142 C 0.5280(6) 0.2815(4) 0.4564(3) 0.0311(16) Uani 1 1 d . . .
H142 H 0.4768 0.243 0.4227 0.037 Uiso 1 1 calc R . .
C143 C 0.4712(7) 0.3223(4) 0.5053(4) 0.0379(17) Uani 1 1 d . . .
H143 H 0.382 0.3107 0.5042 0.046 Uiso 1 1 calc R . .
C144 C 0.5425(8) 0.3788(4) 0.5545(4) 0.0421(19) Uani 1 1 d . . .
H144 H 0.5035 0.4068 0.5867 0.051 Uiso 1 1 calc R . .
C145 C 0.6721(7) 0.3942(4) 0.5563(3) 0.0378(18) Uani 1 1 d . . .
H145 H 0.7221 0.4326 0.5904 0.045 Uiso 1 1 calc R . .
C146 C 0.7303(6) 0.3544(3) 0.5090(3) 0.0264(15) Uani 1 1 d . . .
H146 H 0.8195 0.3659 0.5116 0.032 Uiso 1 1 calc R . .
C101 C 0.4678(6) 0.0812(3) 0.2296(3) 0.0264(15) Uani 1 1 d . . .
C102 C 0.5789(6) 0.0539(3) 0.2328(3) 0.0266(15) Uani 1 1 d . . .
C103 C 0.6085(6) 0.0427(3) 0.3038(4) 0.0292(16) Uani 1 1 d . . .
C104 C 0.5116(6) 0.0611(3) 0.3454(3) 0.0269(15) Uani 1 1 d . . .
C105 C 0.4248(6) 0.0841(3) 0.2995(3) 0.0276(15) Uani 1 1 d . . .
C106 C 0.3982(6) 0.0944(4) 0.1644(3) 0.0392(18) Uani 1 1 d . . .
H10A H 0.3145 0.0554 0.1597 0.059 Uiso 1 1 calc R . .
H10B H 0.446 0.0874 0.1235 0.059 Uiso 1 1 calc R . .
H10C H 0.3893 0.1489 0.168 0.059 Uiso 1 1 calc R . .
C107 C 0.6457(7) 0.0301(4) 0.1713(4) 0.0427(19) Uani 1 1 d . . .
H10D H 0.7367 0.0464 0.1821 0.064 Uiso 1 1 calc R . .
H10E H 0.6277 0.0567 0.1307 0.064 Uiso 1 1 calc R . .
H10F H 0.6159 -0.0282 0.1611 0.064 Uiso 1 1 calc R . .
C108 C 0.7072(6) 0.0044(3) 0.3286(4) 0.0429(19) Uani 1 1 d . . .
H10G H 0.672 -0.0541 0.3246 0.064 Uiso 1 1 calc R . .
H10H H 0.7327 0.023 0.3772 0.064 Uiso 1 1 calc R . .
H10I H 0.7808 0.0196 0.2999 0.064 Uiso 1 1 calc R . .
C109 C 0.4928(6) 0.0458(4) 0.4209(3) 0.0397(18) Uani 1 1 d . . .
H10J H 0.4549 0.0852 0.443 0.059 Uiso 1 1 calc R . .
H10K H 0.5743 0.0508 0.4445 0.059 Uiso 1 1 calc R . .
H10L H 0.4368 -0.0084 0.4244 0.059 Uiso 1 1 calc R . .
C100 C 0.3022(6) 0.1001(3) 0.3189(3) 0.0314(16) Uani 1 1 d . . .
H10M H 0.2923 0.1462 0.2952 0.047 Uiso 1 1 calc R . .
H10N H 0.3031 0.1118 0.3693 0.047 Uiso 1 1 calc R . .
H10O H 0.2317 0.0527 0.3046 0.047 Uiso 1 1 calc R . .
P21 P 0.96309(15) 0.68573(8) 0.25114(8) 0.0219(4) Uani 1 1 d . . .
C211 C 1.1269(6) 0.7477(3) 0.2776(3) 0.0249(14) Uani 1 1 d . . .
C212 C 1.1705(6) 0.8244(3) 0.2535(3) 0.0242(14) Uani 1 1 d . . .
H212 H 1.1161 0.8453 0.2264 0.029 Uiso 1 1 calc R . .
C213 C 1.2972(6) 0.8706(3) 0.2701(3) 0.0315(16) Uani 1 1 d . . .
H213 H 1.3271 0.9232 0.255 0.038 Uiso 1 1 calc R . .
C214 C 1.3772(6) 0.8389(4) 0.3083(3) 0.0328(16) Uani 1 1 d . . .
H214 H 1.4625 0.8693 0.3182 0.039 Uiso 1 1 calc R . .
C215 C 1.3325(6) 0.7624(4) 0.3323(3) 0.0306(15) Uani 1 1 d . . .
H215 H 1.3866 0.7413 0.3594 0.037 Uiso 1 1 calc R . .
C216 C 1.2074(6) 0.7169(3) 0.3161(3) 0.0260(14) Uani 1 1 d . . .
H216 H 1.1776 0.6645 0.3317 0.031 Uiso 1 1 calc R . .
C221 C 0.9052(5) 0.6425(3) 0.3331(3) 0.0217(14) Uani 1 1 d . . .
C222 C 0.8197(6) 0.5664(3) 0.3323(3) 0.0294(15) Uani 1 1 d . . .
H222 H 0.7957 0.5346 0.2896 0.035 Uiso 1 1 calc R . .
C223 C 0.7690(6) 0.5366(3) 0.3941(3) 0.0337(17) Uani 1 1 d . . .
H223 H 0.7122 0.4841 0.3933 0.04 Uiso 1 1 calc R . .
C224 C 0.8014(6) 0.5833(3) 0.4563(3) 0.0300(16) Uani 1 1 d . . .
H224 H 0.7665 0.5634 0.4982 0.036 Uiso 1 1 calc R . .
C225 C 0.8844(6) 0.6587(3) 0.4567(3) 0.0307(16) Uani 1 1 d . . .
H225 H 0.906 0.6908 0.4994 0.037 Uiso 1 1 calc R . .
C226 C 0.9373(6) 0.6890(3) 0.3966(3) 0.0251(14) Uani 1 1 d . . .
H226 H 0.9952 0.7412 0.3982 0.03 Uiso 1 1 calc R . .
C210 C 0.9963(6) 0.6033(3) 0.1964(3) 0.0231(14) Uani 1 1 d . . .
H21A H 1.06 0.5829 0.2201 0.028 Uiso 1 1 calc R . .
H21B H 0.9185 0.5584 0.1866 0.028 Uiso 1 1 calc R . .
C220 C 1.0462(6) 0.6393(3) 0.1290(3) 0.0278(15) Uani 1 1 d . . .
H22A H 1.0472 0.5958 0.0935 0.033 Uiso 1 1 calc R . .
H22B H 1.1336 0.6743 0.1375 0.033 Uiso 1 1 calc R . .
P22 P 0.94341(15) 0.69938(9) 0.09624(8) 0.0237(4) Uani 1 1 d . . .
C231 C 1.0505(6) 0.7801(3) 0.0510(3) 0.0267(15) Uani 1 1 d . . .
C232 C 1.1729(7) 0.8210(4) 0.0795(3) 0.0375(18) Uani 1 1 d . . .
H232 H 1.2069 0.8011 0.1178 0.045 Uiso 1 1 calc R . .
C233 C 1.2430(8) 0.8901(4) 0.0513(4) 0.052(2) Uani 1 1 d . . .
H233 H 1.3242 0.9176 0.0713 0.062 Uiso 1 1 calc R . .
C234 C 1.1970(9) 0.9197(4) -0.0052(4) 0.058(3) Uani 1 1 d . . .
H234 H 1.2462 0.9669 -0.024 0.07 Uiso 1 1 calc R . .
C235 C 1.0764(9) 0.8790(4) -0.0346(4) 0.056(2) Uani 1 1 d . . .
H235 H 1.0433 0.8982 -0.0736 0.067 Uiso 1 1 calc R . .
C236 C 1.0071(7) 0.8108(3) -0.0059(3) 0.0388(18) Uani 1 1 d . . .
H236 H 0.9258 0.7836 -0.026 0.047 Uiso 1 1 calc R . .
C241 C 0.8518(6) 0.6332(3) 0.0217(3) 0.0255(15) Uani 1 1 d . . .
C242 C 0.7216(6) 0.6196(3) 0.0140(3) 0.0298(15) Uani 1 1 d . . .
H242 H 0.6792 0.6446 0.0467 0.036 Uiso 1 1 calc R . .
C243 C 0.6524(6) 0.5684(4) -0.0426(3) 0.0352(17) Uani 1 1 d . . .
H243 H 0.5639 0.5595 -0.0478 0.042 Uiso 1 1 calc R . .
C244 C 0.7137(7) 0.5315(3) -0.0905(3) 0.0358(17) Uani 1 1 d . . .
H244 H 0.6669 0.4968 -0.128 0.043 Uiso 1 1 calc R . .
C245 C 0.8433(7) 0.5452(3) -0.0835(3) 0.0350(17) Uani 1 1 d . . .
H245 H 0.885 0.5199 -0.1165 0.042 Uiso 1 1 calc R . .
C246 C 0.9139(6) 0.5966(3) -0.0276(3) 0.0291(15) Uani 1 1 d . . .
H246 H 1.0027 0.6064 -0.0233 0.035 Uiso 1 1 calc R . .
C201 C 0.7270(6) 0.7989(3) 0.2570(3) 0.0259(14) Uani 1 1 d . . .
C202 C 0.8473(6) 0.8551(3) 0.2517(3) 0.0226(14) Uani 1 1 d . . .
C203 C 0.8661(6) 0.8766(3) 0.1816(4) 0.0327(17) Uani 1 1 d . . .
C204 C 0.7502(6) 0.8307(3) 0.1399(3) 0.0255(15) Uani 1 1 d . . .
C205 C 0.6637(6) 0.7856(3) 0.1863(3) 0.0254(15) Uani 1 1 d . . .
C206 C 0.6696(6) 0.7649(4) 0.3219(3) 0.0295(15) Uani 1 1 d . . .
H20A H 0.7363 0.7613 0.3547 0.044 Uiso 1 1 calc R . .
H20B H 0.6117 0.7113 0.3102 0.044 Uiso 1 1 calc R . .
H20C H 0.6231 0.8 0.343 0.044 Uiso 1 1 calc R . .
C207 C 0.9345(6) 0.8934(4) 0.3137(3) 0.0315(16) Uani 1 1 d . . .
H20D H 0.8978 0.9297 0.3413 0.047 Uiso 1 1 calc R . .
H20E H 1.0163 0.9237 0.2977 0.047 Uiso 1 1 calc R . .
H20F H 0.9461 0.8515 0.3425 0.047 Uiso 1 1 calc R . .
C208 C 0.9730(6) 0.9395(3) 0.1526(3) 0.0348(17) Uani 1 1 d . . .
H20G H 0.9468 0.9879 0.1465 0.052 Uiso 1 1 calc R . .
H20H H 0.9944 0.9185 0.1076 0.052 Uiso 1 1 calc R . .
H20I H 1.0468 0.9526 0.185 0.052 Uiso 1 1 calc R . .
C209 C 0.7186(7) 0.8420(4) 0.0650(3) 0.0396(18) Uani 1 1 d . . .
H20J H 0.6642 0.7914 0.0429 0.059 Uiso 1 1 calc R . .
H20K H 0.7965 0.8585 0.0399 0.059 Uiso 1 1 calc R . .
H20L H 0.6748 0.8835 0.0639 0.059 Uiso 1 1 calc R . .
C200 C 0.5293(6) 0.7388(4) 0.1678(4) 0.0369(17) Uani 1 1 d . . .
H20M H 0.4759 0.775 0.1707 0.055 Uiso 1 1 calc R . .
H20N H 0.5013 0.6971 0.2003 0.055 Uiso 1 1 calc R . .
H20O H 0.5231 0.7137 0.1204 0.055 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'
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'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 '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
C1 Ru1 C105 90.6(2) . . ?
C1 Ru1 C101 96.2(2) . . ?
C105 Ru1 C101 37.3(2) . . ?
C1 Ru1 C104 119.6(2) . . ?
C105 Ru1 C104 37.1(2) . . ?
C101 Ru1 C104 62.1(2) . . ?
C1 Ru1 P11 80.68(17) . . ?
C105 Ru1 P11 150.69(17) . . ?
C101 Ru1 P11 115.47(16) . . ?
C104 Ru1 P11 159.40(17) . . ?
C1 Ru1 C102 130.7(2) . . ?
C105 Ru1 C102 61.0(2) . . ?
C101 Ru1 C102 36.7(2) . . ?
C104 Ru1 C102 60.6(2) . . ?
P11 Ru1 C102 104.33(15) . . ?
C1 Ru1 P12 90.22(17) . . ?
C105 Ru1 P12 125.25(17) . . ?
C101 Ru1 P12 161.18(16) . . ?
C104 Ru1 P12 99.41(16) . . ?
P11 Ru1 P12 83.00(6) . . ?
C102 Ru1 P12 138.91(17) . . ?
C1 Ru1 C103 152.1(2) . . ?
C105 Ru1 C103 61.5(2) . . ?
C101 Ru1 C103 61.7(2) . . ?
C104 Ru1 C103 36.6(2) . . ?
P11 Ru1 C103 122.95(17) . . ?
C102 Ru1 C103 36.2(2) . . ?
P12 Ru1 C103 106.04(17) . . ?
C7 Ru2 C201 96.0(2) . . ?
C7 Ru2 C205 86.9(2) . . ?
C201 Ru2 C205 38.5(2) . . ?
C7 Ru2 C204 113.8(2) . . ?
C201 Ru2 C204 63.1(2) . . ?
C205 Ru2 C204 36.7(2) . . ?
C7 Ru2 C202 131.6(2) . . ?
C201 Ru2 C202 36.6(2) . . ?
C205 Ru2 C202 61.8(2) . . ?
C204 Ru2 C202 61.9(2) . . ?
C7 Ru2 P22 90.65(18) . . ?
C201 Ru2 P22 167.83(16) . . ?
C205 Ru2 P22 132.25(16) . . ?
C204 Ru2 P22 104.91(16) . . ?
C202 Ru2 P22 137.74(16) . . ?
C7 Ru2 P21 83.03(18) . . ?
C201 Ru2 P21 108.67(16) . . ?
C205 Ru2 P21 144.27(16) . . ?
C204 Ru2 P21 161.23(15) . . ?
C202 Ru2 P21 101.02(15) . . ?
P22 Ru2 P21 82.21(6) . . ?
C7 Ru2 C203 148.6(2) . . ?
C201 Ru2 C203 61.9(2) . . ?
C205 Ru2 C203 61.9(2) . . ?
C204 Ru2 C203 37.8(2) . . ?
C202 Ru2 C203 36.3(2) . . ?
P22 Ru2 C203 107.80(17) . . ?
P21 Ru2 C203 123.63(18) . . ?
C2 C1 Ru1 177.8(5) . . ?
C1 C2 C3 176.9(7) . . ?
C31 C3 C4 120.2(5) . . ?
C31 C3 C2 122.9(5) . . ?
C4 C3 C2 116.8(6) . . ?
C3 C31 C33 120.2(5) . . ?
C3 C31 C32 122.3(5) . . ?
C33 C31 C32 117.4(6) . . ?
N32 C32 C31 179.4(7) . . ?
N33 C33 C31 177.3(7) . . ?
C5 C4 C3 171.2(7) . . ?
C4 C5 C6 177.3(7) . . ?
C7 C6 C5 167.6(7) . . ?
C6 C7 Ru2 169.2(5) . . ?
C121 P11 C111 100.8(3) . . ?
C121 P11 C110 104.0(3) . . ?
C111 P11 C110 99.9(3) . . ?
C121 P11 Ru1 121.71(19) . . ?
C111 P11 Ru1 119.70(19) . . ?
C110 P11 Ru1 107.68(18) . . ?
C116 C111 C112 118.1(5) . . ?
C116 C111 P11 121.9(4) . . ?
C112 C111 P11 119.8(4) . . ?
C113 C112 C111 120.1(5) . . ?
C113 C112 H112 120 . . ?
C111 C112 H112 120 . . ?
C114 C113 C112 120.2(6) . . ?
C114 C113 H113 119.9 . . ?
C112 C113 H113 119.9 . . ?
C113 C114 C115 120.8(6) . . ?
C113 C114 H114 119.6 . . ?
C115 C114 H114 119.6 . . ?
C116 C115 C114 119.2(6) . . ?
C116 C115 H115 120.4 . . ?
C114 C115 H115 120.4 . . ?
C115 C116 C111 121.6(5) . . ?
C115 C116 H116 119.2 . . ?
C111 C116 H116 119.2 . . ?
C122 C121 C126 116.4(6) . . ?
C122 C121 P11 124.1(5) . . ?
C126 C121 P11 119.5(4) . . ?
C123 C122 C121 121.9(6) . . ?
C123 C122 H122 119.1 . . ?
C121 C122 H122 119.1 . . ?
C122 C123 C124 121.1(6) . . ?
C122 C123 H123 119.5 . . ?
C124 C123 H123 119.5 . . ?
C125 C124 C123 117.7(6) . . ?
C125 C124 H124 121.1 . . ?
C123 C124 H124 121.1 . . ?
C126 C125 C124 121.5(6) . . ?
C126 C125 H125 119.2 . . ?
C124 C125 H125 119.2 . . ?
C125 C126 C121 121.4(6) . . ?
C125 C126 H126 119.3 . . ?
C121 C126 H126 119.3 . . ?
C120 C110 P11 106.9(4) . . ?
C120 C110 H11A 110.3 . . ?
P11 C110 H11A 110.3 . . ?
C120 C110 H11B 110.3 . . ?
P11 C110 H11B 110.3 . . ?
H11A C110 H11B 108.6 . . ?
C110 C120 P12 109.7(4) . . ?
C110 C120 H12A 109.7 . . ?
P12 C120 H12A 109.7 . . ?
C110 C120 H12B 109.7 . . ?
P12 C120 H12B 109.7 . . ?
H12A C120 H12B 108.2 . . ?
C141 P12 C131 102.7(3) . . ?
C141 P12 C120 103.1(3) . . ?
C131 P12 C120 103.8(3) . . ?
C141 P12 Ru1 118.9(2) . . ?
C131 P12 Ru1 116.19(18) . . ?
C120 P12 Ru1 110.45(19) . . ?
C132 C131 C136 116.9(6) . . ?
C132 C131 P12 121.3(4) . . ?
C136 C131 P12 121.7(5) . . ?
C133 C132 C131 122.6(6) . . ?
C133 C132 H132 118.7 . . ?
C131 C132 H132 118.7 . . ?
C134 C133 C132 119.9(6) . . ?
C134 C133 H133 120.1 . . ?
C132 C133 H133 120.1 . . ?
C133 C134 C135 119.5(6) . . ?
C133 C134 H134 120.3 . . ?
C135 C134 H134 120.3 . . ?
C134 C135 C136 120.1(6) . . ?
C134 C135 H135 120 . . ?
C136 C135 H135 120 . . ?
C131 C136 C135 121.0(6) . . ?
C131 C136 H136 119.5 . . ?
C135 C136 H136 119.5 . . ?
C142 C141 C146 117.2(6) . . ?
C142 C141 P12 120.7(5) . . ?
C146 C141 P12 122.1(5) . . ?
C141 C142 C143 120.5(6) . . ?
C141 C142 H142 119.8 . . ?
C143 C142 H142 119.8 . . ?
C144 C143 C142 121.3(7) . . ?
C144 C143 H143 119.4 . . ?
C142 C143 H143 119.4 . . ?
C143 C144 C145 118.8(6) . . ?
C143 C144 H144 120.6 . . ?
C145 C144 H144 120.6 . . ?
C144 C145 C146 121.1(6) . . ?
C144 C145 H145 119.4 . . ?
C146 C145 H145 119.4 . . ?
C145 C146 C141 121.2(6) . . ?
C145 C146 H146 119.4 . . ?
C141 C146 H146 119.4 . . ?
C102 C101 C105 107.0(6) . . ?
C102 C101 C106 127.0(6) . . ?
C105 C101 C106 125.6(6) . . ?
C102 C101 Ru1 73.6(3) . . ?
C105 C101 Ru1 71.2(3) . . ?
C106 C101 Ru1 126.1(4) . . ?
C103 C102 C101 109.5(5) . . ?
C103 C102 C107 124.1(6) . . ?
C101 C102 C107 126.0(6) . . ?
C103 C102 Ru1 72.4(3) . . ?
C101 C102 Ru1 69.7(3) . . ?
C107 C102 Ru1 130.3(4) . . ?
C102 C103 C104 107.0(5) . . ?
C102 C103 C108 126.2(6) . . ?
C104 C103 C108 125.9(6) . . ?
C102 C103 Ru1 71.4(3) . . ?
C104 C103 Ru1 70.3(3) . . ?
C108 C103 Ru1 131.6(4) . . ?
C105 C104 C103 108.1(5) . . ?
C105 C104 C109 125.5(6) . . ?
C103 C104 C109 125.6(6) . . ?
C105 C104 Ru1 70.3(3) . . ?
C103 C104 Ru1 73.0(3) . . ?
C109 C104 Ru1 129.9(4) . . ?
C104 C105 C101 108.4(6) . . ?
C104 C105 C100 126.6(6) . . ?
C101 C105 C100 124.8(6) . . ?
C104 C105 Ru1 72.6(3) . . ?
C101 C105 Ru1 71.4(3) . . ?
C100 C105 Ru1 126.6(4) . . ?
C101 C106 H10A 109.5 . . ?
C101 C106 H10B 109.5 . . ?
H10A C106 H10B 109.5 . . ?
C101 C106 H10C 109.5 . . ?
H10A C106 H10C 109.5 . . ?
H10B C106 H10C 109.5 . . ?
C102 C107 H10D 109.5 . . ?
C102 C107 H10E 109.5 . . ?
H10D C107 H10E 109.5 . . ?
C102 C107 H10F 109.5 . . ?
H10D C107 H10F 109.5 . . ?
H10E C107 H10F 109.5 . . ?
C103 C108 H10G 109.5 . . ?
C103 C108 H10H 109.5 . . ?
H10G C108 H10H 109.5 . . ?
C103 C108 H10I 109.5 . . ?
H10G C108 H10I 109.5 . . ?
H10H C108 H10I 109.5 . . ?
C104 C109 H10J 109.5 . . ?
C104 C109 H10K 109.5 . . ?
H10J C109 H10K 109.5 . . ?
C104 C109 H10L 109.5 . . ?
H10J C109 H10L 109.5 . . ?
H10K C109 H10L 109.5 . . ?
C105 C100 H10M 109.5 . . ?
C105 C100 H10N 109.5 . . ?
H10M C100 H10N 109.5 . . ?
C105 C100 H10O 109.5 . . ?
H10M C100 H10O 109.5 . . ?
H10N C100 H10O 109.5 . . ?
C221 P21 C210 106.0(3) . . ?
C221 P21 C211 102.3(3) . . ?
C210 P21 C211 100.5(3) . . ?
C221 P21 Ru2 119.25(19) . . ?
C210 P21 Ru2 107.5(2) . . ?
C211 P21 Ru2 119.15(19) . . ?
C216 C211 C212 120.2(6) . . ?
C216 C211 P21 121.1(4) . . ?
C212 C211 P21 118.5(5) . . ?
C211 C212 C213 119.2(6) . . ?
C211 C212 H212 120.4 . . ?
C213 C212 H212 120.4 . . ?
C214 C213 C212 120.1(5) . . ?
C214 C213 H213 119.9 . . ?
C212 C213 H213 119.9 . . ?
C213 C214 C215 120.1(6) . . ?
C213 C214 H214 119.9 . . ?
C215 C214 H214 119.9 . . ?
C214 C215 C216 119.8(6) . . ?
C214 C215 H215 120.1 . . ?
C216 C215 H215 120.1 . . ?
C211 C216 C215 120.6(5) . . ?
C211 C216 H216 119.7 . . ?
C215 C216 H216 119.7 . . ?
C222 C221 C226 118.8(5) . . ?
C222 C221 P21 120.7(5) . . ?
C226 C221 P21 120.2(4) . . ?
C221 C222 C223 120.4(6) . . ?
C221 C222 H222 119.8 . . ?
C223 C222 H222 119.8 . . ?
C224 C223 C222 120.1(6) . . ?
C224 C223 H223 119.9 . . ?
C222 C223 H223 119.9 . . ?
C225 C224 C223 119.4(6) . . ?
C225 C224 H224 120.3 . . ?
C223 C224 H224 120.3 . . ?
C224 C225 C226 121.7(6) . . ?
C224 C225 H225 119.2 . . ?
C226 C225 H225 119.2 . . ?
C225 C226 C221 119.7(5) . . ?
C225 C226 H226 120.2 . . ?
C221 C226 H226 120.2 . . ?
C220 C210 P21 106.0(4) . . ?
C220 C210 H21A 110.5 . . ?
P21 C210 H21A 110.5 . . ?
C220 C210 H21B 110.5 . . ?
P21 C210 H21B 110.5 . . ?
H21A C210 H21B 108.7 . . ?
C210 C220 P22 109.9(4) . . ?
C210 C220 H22A 109.7 . . ?
P22 C220 H22A 109.7 . . ?
C210 C220 H22B 109.7 . . ?
P22 C220 H22B 109.7 . . ?
H22A C220 H22B 108.2 . . ?
C231 P22 C241 101.6(3) . . ?
C231 P22 C220 104.9(3) . . ?
C241 P22 C220 102.9(3) . . ?
C231 P22 Ru2 116.16(18) . . ?
C241 P22 Ru2 118.9(2) . . ?
C220 P22 Ru2 110.73(19) . . ?
C236 C231 C232 117.4(6) . . ?
C236 C231 P22 120.7(5) . . ?
C232 C231 P22 121.1(5) . . ?
C233 C232 C231 119.9(7) . . ?
C233 C232 H232 120 . . ?
C231 C232 H232 120 . . ?
C234 C233 C232 121.4(7) . . ?
C234 C233 H233 119.3 . . ?
C232 C233 H233 119.3 . . ?
C233 C234 C235 119.3(7) . . ?
C233 C234 H234 120.4 . . ?
C235 C234 H234 120.4 . . ?
C236 C235 C234 118.9(8) . . ?
C236 C235 H235 120.5 . . ?
C234 C235 H235 120.5 . . ?
C235 C236 C231 123.0(7) . . ?
C235 C236 H236 118.5 . . ?
C231 C236 H236 118.5 . . ?
C242 C241 C246 119.4(6) . . ?
C242 C241 P22 120.5(5) . . ?
C246 C241 P22 120.0(5) . . ?
C241 C242 C243 120.1(6) . . ?
C241 C242 H242 119.9 . . ?
C243 C242 H242 119.9 . . ?
C244 C243 C242 120.3(6) . . ?
C244 C243 H243 119.9 . . ?
C242 C243 H243 119.9 . . ?
C243 C244 C245 120.0(6) . . ?
C243 C244 H244 120 . . ?
C245 C244 H244 120 . . ?
C244 C245 C246 120.3(6) . . ?
C244 C245 H245 119.8 . . ?
C246 C245 H245 119.8 . . ?
C241 C246 C245 119.8(6) . . ?
C241 C246 H246 120.1 . . ?
C245 C246 H246 120.1 . . ?
C202 C201 C205 106.7(5) . . ?
C202 C201 C206 127.0(6) . . ?
C205 C201 C206 126.1(5) . . ?
C202 C201 Ru2 73.0(3) . . ?
C205 C201 Ru2 71.6(3) . . ?
C206 C201 Ru2 124.5(4) . . ?
C201 C202 C203 110.7(5) . . ?
C201 C202 C207 123.5(5) . . ?
C203 C202 C207 125.4(6) . . ?
C201 C202 Ru2 70.3(3) . . ?
C203 C202 Ru2 73.2(3) . . ?
C207 C202 Ru2 128.9(4) . . ?
C202 C203 C204 106.8(5) . . ?
C202 C203 C208 129.5(6) . . ?
C204 C203 C208 123.4(6) . . ?
C202 C203 Ru2 70.5(3) . . ?
C204 C203 Ru2 69.6(3) . . ?
C208 C203 Ru2 129.6(4) . . ?
C205 C204 C203 107.7(5) . . ?
C205 C204 C209 125.2(6) . . ?
C203 C204 C209 126.0(6) . . ?
C205 C204 Ru2 71.5(3) . . ?
C203 C204 Ru2 72.6(3) . . ?
C209 C204 Ru2 130.5(4) . . ?
C204 C205 C201 108.0(5) . . ?
C204 C205 C200 125.6(6) . . ?
C201 C205 C200 126.2(6) . . ?
C204 C205 Ru2 71.8(3) . . ?
C201 C205 Ru2 69.8(3) . . ?
C200 C205 Ru2 127.8(4) . . ?
C201 C206 H20A 109.5 . . ?
C201 C206 H20B 109.5 . . ?
H20A C206 H20B 109.5 . . ?
C201 C206 H20C 109.5 . . ?
H20A C206 H20C 109.5 . . ?
H20B C206 H20C 109.5 . . ?
C202 C207 H20D 109.5 . . ?
C202 C207 H20E 109.5 . . ?
H20D C207 H20E 109.5 . . ?
C202 C207 H20F 109.5 . . ?
H20D C207 H20F 109.5 . . ?
H20E C207 H20F 109.5 . . ?
C203 C208 H20G 109.5 . . ?
C203 C208 H20H 109.5 . . ?
H20G C208 H20H 109.5 . . ?
C203 C208 H20I 109.5 . . ?
H20G C208 H20I 109.5 . . ?
H20H C208 H20I 109.5 . . ?
C204 C209 H20J 109.5 . . ?
C204 C209 H20K 109.5 . . ?
H20J C209 H20K 109.5 . . ?
C204 C209 H20L 109.5 . . ?
H20J C209 H20L 109.5 . . ?
H20K C209 H20L 109.5 . . ?
C205 C200 H20M 109.5 . . ?
C205 C200 H20N 109.5 . . ?
H20M C200 H20N 109.5 . . ?
C205 C200 H20O 109.5 . . ?
H20M C200 H20O 109.5 . . ?
H20N C200 H20O 109.5 . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C1 1.993(6) . ?
Ru1 C105 2.256(6) . ?
Ru1 C101 2.259(6) . ?
Ru1 C104 2.287(5) . ?
Ru1 P11 2.2932(16) . ?
Ru1 C102 2.311(6) . ?
Ru1 P12 2.3124(17) . ?
Ru1 C103 2.323(5) . ?
Ru2 C7 1.974(6) . ?
Ru2 C201 2.246(6) . ?
Ru2 C205 2.271(6) . ?
Ru2 C204 2.276(6) . ?
Ru2 C202 2.281(5) . ?
Ru2 P22 2.2947(17) . ?
Ru2 P21 2.3005(17) . ?
Ru2 C203 2.316(5) . ?
C1 C2 1.232(8) . ?
C2 C3 1.426(8) . ?
C3 C31 1.384(8) . ?
C3 C4 1.420(8) . ?
C31 C33 1.440(9) . ?
C31 C32 1.442(9) . ?
C32 N32 1.170(8) . ?
C33 N33 1.160(7) . ?
C4 C5 1.228(8) . ?
C5 C6 1.377(9) . ?
C6 C7 1.232(8) . ?
P11 C121 1.826(6) . ?
P11 C111 1.845(6) . ?
P11 C110 1.878(5) . ?
C111 C116 1.403(8) . ?
C111 C112 1.414(8) . ?
C112 C113 1.396(8) . ?
C112 H112 0.95 . ?
C113 C114 1.366(8) . ?
C113 H113 0.95 . ?
C114 C115 1.407(8) . ?
C114 H114 0.95 . ?
C115 C116 1.369(8) . ?
C115 H115 0.95 . ?
C116 H116 0.95 . ?
C121 C122 1.405(8) . ?
C121 C126 1.411(8) . ?
C122 C123 1.380(9) . ?
C122 H122 0.95 . ?
C123 C124 1.399(9) . ?
C123 H123 0.95 . ?
C124 C125 1.389(8) . ?
C124 H124 0.95 . ?
C125 C126 1.384(9) . ?
C125 H125 0.95 . ?
C126 H126 0.95 . ?
C110 C120 1.520(8) . ?
C110 H11A 0.99 . ?
C110 H11B 0.99 . ?
C120 P12 1.871(5) . ?
C120 H12A 0.99 . ?
C120 H12B 0.99 . ?
P12 C141 1.837(6) . ?
P12 C131 1.849(6) . ?
C131 C132 1.390(8) . ?
C131 C136 1.401(8) . ?
C132 C133 1.385(8) . ?
C132 H132 0.95 . ?
C133 C134 1.380(8) . ?
C133 H133 0.95 . ?
C134 C135 1.390(9) . ?
C134 H134 0.95 . ?
C135 C136 1.402(8) . ?
C135 H135 0.95 . ?
C136 H136 0.95 . ?
C141 C142 1.402(9) . ?
C141 C146 1.412(8) . ?
C142 C143 1.408(9) . ?
C142 H142 0.95 . ?
C143 C144 1.376(9) . ?
C143 H143 0.95 . ?
C144 C145 1.382(10) . ?
C144 H144 0.95 . ?
C145 C146 1.388(8) . ?
C145 H145 0.95 . ?
C146 H146 0.95 . ?
C101 C102 1.440(8) . ?
C101 C105 1.445(8) . ?
C101 C106 1.523(9) . ?
C102 C103 1.439(9) . ?
C102 C107 1.510(9) . ?
C103 C104 1.449(9) . ?
C103 C108 1.517(9) . ?
C104 C105 1.445(8) . ?
C104 C109 1.509(9) . ?
C105 C100 1.513(8) . ?
C106 H10A 0.98 . ?
C106 H10B 0.98 . ?
C106 H10C 0.98 . ?
C107 H10D 0.98 . ?
C107 H10E 0.98 . ?
C107 H10F 0.98 . ?
C108 H10G 0.98 . ?
C108 H10H 0.98 . ?
C108 H10I 0.98 . ?
C109 H10J 0.98 . ?
C109 H10K 0.98 . ?
C109 H10L 0.98 . ?
C100 H10M 0.98 . ?
C100 H10N 0.98 . ?
C100 H10O 0.98 . ?
P21 C221 1.848(6) . ?
P21 C210 1.853(6) . ?
P21 C211 1.868(6) . ?
C211 C216 1.388(8) . ?
C211 C212 1.402(8) . ?
C212 C213 1.422(8) . ?
C212 H212 0.95 . ?
C213 C214 1.391(9) . ?
C213 H213 0.95 . ?
C214 C215 1.398(8) . ?
C214 H214 0.95 . ?
C215 C216 1.403(8) . ?
C215 H215 0.95 . ?
C216 H216 0.95 . ?
C221 C222 1.394(8) . ?
C221 C226 1.401(8) . ?
C222 C223 1.398(8) . ?
C222 H222 0.95 . ?
C223 C224 1.383(8) . ?
C223 H223 0.95 . ?
C224 C225 1.374(8) . ?
C224 H224 0.95 . ?
C225 C226 1.382(8) . ?
C225 H225 0.95 . ?
C226 H226 0.95 . ?
C210 C220 1.530(8) . ?
C210 H21A 0.99 . ?
C210 H21B 0.99 . ?
C220 P22 1.875(6) . ?
C220 H22A 0.99 . ?
C220 H22B 0.99 . ?
P22 C231 1.849(6) . ?
P22 C241 1.863(6) . ?
C231 C236 1.385(9) . ?
C231 C232 1.418(9) . ?
C232 C233 1.389(9) . ?
C232 H232 0.95 . ?
C233 C234 1.381(11) . ?
C233 H233 0.95 . ?
C234 C235 1.407(11) . ?
C234 H234 0.95 . ?
C235 C236 1.379(8) . ?
C235 H235 0.95 . ?
C236 H236 0.95 . ?
C241 C242 1.396(9) . ?
C241 C246 1.408(8) . ?
C242 C243 1.420(8) . ?
C242 H242 0.95 . ?
C243 C244 1.388(9) . ?
C243 H243 0.95 . ?
C244 C245 1.389(9) . ?
C244 H244 0.95 . ?
C245 C246 1.419(8) . ?
C245 H245 0.95 . ?
C246 H246 0.95 . ?
C201 C202 1.423(8) . ?
C201 C205 1.491(8) . ?
C201 C206 1.499(8) . ?
C202 C203 1.431(8) . ?
C202 C207 1.510(8) . ?
C203 C204 1.489(9) . ?
C203 C208 1.515(8) . ?
C204 C205 1.431(8) . ?
C204 C209 1.516(8) . ?
C205 C200 1.502(8) . ?
C206 H20A 0.98 . ?
C206 H20B 0.98 . ?
C206 H20C 0.98 . ?
C207 H20D 0.98 . ?
C207 H20E 0.98 . ?
C207 H20F 0.98 . ?
C208 H20G 0.98 . ?
C208 H20H 0.98 . ?
C208 H20I 0.98 . ?
C209 H20J 0.98 . ?
C209 H20K 0.98 . ?
C209 H20L 0.98 . ?
C200 H20M 0.98 . ?
C200 H20N 0.98 . ?
C200 H20O 0.98 . ?
