#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/19/7011974.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_7011974
loop_
_publ_author_name
'Annemarie A. La Pensée'
'Jamie Bickley'
'Simon J. Higgins'
'Massimo Marcaccio'
'Francesco Paolucci'
'Sergio Roffia'
'John M. Charnock'
_publ_section_title
;
 Syntheses, characterization and redox properties of homoleptic
 ruthenium(II)--diphosphine and diarsine complexes: deviations from
 ligand additivity
;
_journal_issue                   22
_journal_name_full               'J. Chem. Soc., Dalton Trans.'
_journal_page_first              4095
_journal_page_last               4104
_journal_paper_doi               10.1039/b206234h
_journal_year                    2002
_chemical_formula_sum            'C31.5 H54 As6 Cl2 N0.5 O1.5 Ru'
_chemical_formula_weight         1085.35
_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                94.833(17)
_cell_angle_beta                 102.402(16)
_cell_angle_gamma                92.756(17)
_cell_formula_units_Z            4
_cell_length_a                   11.6861(16)
_cell_length_b                   16.900(2)
_cell_length_c                   20.774(3)
_cell_measurement_temperature    213(2)
_cell_volume                     3983.5(10)
_computing_data_collection       'IPDS (STOE, 1997)'
_computing_data_reduction        'X-RED (STOE, 1996)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      213(2)
_diffrn_detector_area_resol_mean 6.66
_diffrn_measured_fraction_theta_full 0.928
_diffrn_measured_fraction_theta_max 0.928
_diffrn_measurement_device_type  'STOE IPDS'
_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  0.0657
_diffrn_reflns_av_sigmaI/netI    0.1331
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       -22
_diffrn_reflns_number            25562
_diffrn_reflns_theta_full        24.18
_diffrn_reflns_theta_max         24.18
_diffrn_reflns_theta_min         1.79
_exptl_absorpt_coefficient_mu    5.320
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.810
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       'cubic plate'
_exptl_crystal_F_000             2137
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.3
_exptl_crystal_size_min          0.2
_refine_diff_density_max         1.583
_refine_diff_density_min         -1.505
_refine_diff_density_rms         0.167
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.837
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         11848
_refine_ls_number_restraints     6
_refine_ls_restrained_S_all      0.837
_refine_ls_R_factor_all          0.0969
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.136
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0479P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1016
_refine_ls_wR_factor_ref         0.1122
_reflns_number_gt                6524
_reflns_number_total             11848
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b206234h.txt
_cod_data_source_block           alp3
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0479P)^2^+0.0000P] 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^)+(0.0479P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      ' P -1'
_cod_original_formula_sum        'C31.50 H54 As6 Cl2 N0.50 O1.50 Ru'
_cod_database_code               7011974
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_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.07433(8) 0.65254(5) 0.24795(4) 0.0201(2) Uani 1 d . . .
As11 As 0.12340(10) 0.78521(6) 0.31035(5) 0.0236(3) Uani 1 d . . .
As12 As -0.03982(10) 0.63163(6) 0.33158(5) 0.0251(3) Uani 1 d . . .
C10 C 0.2745(10) 0.8215(7) 0.3668(6) 0.040(3) Uani 1 d . . .
H10A H 0.3347 0.8181 0.3412 0.060 Uiso 1 calc R . .
H10B H 0.2923 0.7883 0.4030 0.060 Uiso 1 calc R . .
H10C H 0.2721 0.8763 0.3844 0.060 Uiso 1 calc R . .
C11 C 0.0944(11) 0.8824(7) 0.2674(6) 0.039(3) Uani 1 d . . .
H11A H 0.0193 0.8757 0.2360 0.059 Uiso 1 calc R . .
H11B H 0.1563 0.8937 0.2443 0.059 Uiso 1 calc R . .
H11C H 0.0933 0.9262 0.3005 0.059 Uiso 1 calc R . .
C12 C 0.0230(9) 0.7977(6) 0.3733(5) 0.027(3) Uani 1 d . . .
C13 C 0.0188(9) 0.8716(6) 0.4102(5) 0.028(3) Uani 1 d . . .
H13 H 0.0642 0.9168 0.4042 0.033 Uiso 1 calc R . .
C14 C -0.0519(11) 0.8762(7) 0.4543(5) 0.036(3) Uani 1 d . . .
H14 H -0.0546 0.9251 0.4790 0.043 Uiso 1 calc R . .
C15 C -0.1211(10) 0.8097(7) 0.4641(5) 0.034(3) Uani 1 d . . .
H15 H -0.1685 0.8138 0.4953 0.040 Uiso 1 calc R . .
C16 C -0.1183(10) 0.7392(7) 0.4278(5) 0.031(3) Uani 1 d . . .
H16 H -0.1650 0.6947 0.4338 0.038 Uiso 1 calc R . .
C17 C -0.0471(10) 0.7319(6) 0.3820(5) 0.029(3) Uani 1 d . . .
C18 C 0.0112(12) 0.5648(7) 0.4023(6) 0.048(4) Uani 1 d . . .
H18A H 0.0179 0.5112 0.3835 0.071 Uiso 1 calc R . .
H18B H -0.0458 0.5638 0.4300 0.071 Uiso 1 calc R . .
H18C H 0.0869 0.5860 0.4288 0.071 Uiso 1 calc R . .
C19 C -0.2022(11) 0.5943(7) 0.3059(6) 0.041(3) Uani 1 d . . .
H19A H -0.2097 0.5430 0.2801 0.061 Uiso 1 calc R . .
H19B H -0.2460 0.6321 0.2794 0.061 Uiso 1 calc R . .
H19C H -0.2333 0.5890 0.3452 0.061 Uiso 1 calc R . .
As21 As -0.00681(10) 0.52571(6) 0.18461(5) 0.0251(3) Uani 1 d . . .
As22 As -0.08949(10) 0.70808(6) 0.17553(5) 0.0248(3) Uani 1 d . . .
C20 C -0.0726(11) 0.4391(7) 0.2258(6) 0.042(3) Uani 1 d . . .
H20A H -0.0126 0.4229 0.2613 0.064 Uiso 1 calc R . .
H20B H -0.0997 0.3942 0.1929 0.064 Uiso 1 calc R . .
H20C H -0.1381 0.4574 0.2436 0.064 Uiso 1 calc R . .
C21 C 0.0845(12) 0.4635(7) 0.1347(7) 0.049(3) Uani 1 d . . .
H21A H 0.1564 0.4509 0.1641 0.074 Uiso 1 calc R . .
H21B H 0.1037 0.4937 0.1003 0.074 Uiso 1 calc R . .
H21C H 0.0395 0.4146 0.1147 0.074 Uiso 1 calc R . .
C22 C -0.1445(10) 0.5440(7) 0.1185(5) 0.030(3) Uani 1 d . . .
C23 C -0.2104(11) 0.4838(7) 0.0748(6) 0.038(3) Uani 1 d . . .
H23 H -0.1876 0.4313 0.0764 0.046 Uiso 1 calc R . .
C24 C -0.3092(11) 0.4996(8) 0.0287(6) 0.038(3) Uani 1 d . . .
H24 H -0.3520 0.4582 -0.0010 0.046 Uiso 1 calc R . .
C25 C -0.3449(11) 0.5764(7) 0.0263(5) 0.034(3) Uani 1 d . . .
H25 H -0.4124 0.5870 -0.0047 0.041 Uiso 1 calc R . .
C26 C -0.2817(10) 0.6372(7) 0.0693(5) 0.033(3) Uani 1 d . . .
H26 H -0.3064 0.6892 0.0669 0.040 Uiso 1 calc R . .
C27 C -0.1806(9) 0.6234(6) 0.1167(5) 0.023(2) Uani 1 d . . .
C28 C -0.2081(11) 0.7601(7) 0.2123(6) 0.039(3) Uani 1 d . . .
H28A H -0.1715 0.8047 0.2436 0.059 Uiso 1 calc R . .
H28B H -0.2470 0.7225 0.2347 0.059 Uiso 1 calc R . .
H28C H -0.2654 0.7792 0.1769 0.059 Uiso 1 calc R . .
C29 C -0.0695(10) 0.7812(7) 0.1115(5) 0.034(3) Uiso 1 d . . .
H29A H -0.0233 0.8287 0.1341 0.051 Uiso 1 calc R . .
H29B H -0.1458 0.7956 0.0885 0.051 Uiso 1 calc R . .
H29C H -0.0292 0.7560 0.0798 0.051 Uiso 1 calc R . .
As31 As 0.24184(10) 0.58386(6) 0.30494(5) 0.0246(3) Uani 1 d . . .
As32 As 0.19837(10) 0.67542(6) 0.16975(5) 0.0235(3) Uani 1 d . . .
C30 C 0.3450(13) 0.6240(8) 0.3876(6) 0.053(4) Uani 1 d . . .
H30A H 0.3001 0.6305 0.4216 0.079 Uiso 1 calc R . .
H30B H 0.3825 0.6750 0.3828 0.079 Uiso 1 calc R . .
H30C H 0.4045 0.5867 0.4000 0.079 Uiso 1 calc R . .
C31 C 0.2239(11) 0.4716(7) 0.3217(6) 0.040(3) Uani 1 d . . .
H31A H 0.1697 0.4660 0.3507 0.060 Uiso 1 calc R . .
H31B H 0.2996 0.4540 0.3425 0.060 Uiso 1 calc R . .
H31C H 0.1934 0.4393 0.2801 0.060 Uiso 1 calc R . .
C32 C 0.3491(11) 0.5755(7) 0.2481(5) 0.035(3) Uani 1 d . . .
C33 C 0.4502(10) 0.5283(7) 0.2634(6) 0.034(3) Uani 1 d . . .
H33 H 0.4643 0.5026 0.3025 0.041 Uiso 1 calc R . .
C34 C 0.5244(10) 0.5212(7) 0.2217(6) 0.042(3) Uani 1 d . . .
H34 H 0.5880 0.4890 0.2319 0.050 Uiso 1 calc R . .
C35 C 0.5092(11) 0.5602(7) 0.1640(6) 0.039(3) Uani 1 d . . .
H35 H 0.5625 0.5551 0.1360 0.047 Uiso 1 calc R . .
C36 C 0.4140(10) 0.6067(7) 0.1488(5) 0.038(3) Uani 1 d . . .
H36 H 0.4022 0.6330 0.1100 0.045 Uiso 1 calc R . .
C37 C 0.3358(10) 0.6145(6) 0.1907(5) 0.027(3) Uani 1 d . . .
C38 C 0.2722(10) 0.7787(7) 0.1660(6) 0.035(3) Uani 1 d . . .
H38A H 0.2124 0.8163 0.1554 0.053 Uiso 1 calc R . .
H38B H 0.3179 0.7755 0.1322 0.053 Uiso 1 calc R . .
H38C H 0.3235 0.7962 0.2086 0.053 Uiso 1 calc R . .
C39 C 0.1394(11) 0.6448(8) 0.0770(5) 0.041(3) Uani 1 d . . .
H39A H 0.0995 0.5921 0.0710 0.061 Uiso 1 calc R . .
H39B H 0.2042 0.6441 0.0547 0.061 Uiso 1 calc R . .
H39C H 0.0847 0.6826 0.0586 0.061 Uiso 1 calc R . .
Ru2 Ru 0.62858(7) 0.14010(5) 0.28394(4) 0.0185(2) Uani 1 d . . .
As41 As 0.59148(10) 0.01000(6) 0.22094(5) 0.0237(3) Uani 1 d . . .
As42 As 0.64623(10) 0.06378(6) 0.37968(5) 0.0248(3) Uani 1 d . . .
C40 C 0.4504(10) -0.0170(7) 0.1535(6) 0.037(3) Uani 1 d . . .
H40A H 0.3829 -0.0006 0.1702 0.055 Uiso 1 calc R . .
H40B H 0.4423 -0.0741 0.1416 0.055 Uiso 1 calc R . .
H40C H 0.4550 0.0101 0.1147 0.055 Uiso 1 calc R . .
C41 C 0.7079(10) -0.0273(7) 0.1751(5) 0.034(3) Uani 1 d . . .
H41A H 0.7851 -0.0179 0.2042 0.051 Uiso 1 calc R . .
H41B H 0.7053 0.0010 0.1361 0.051 Uiso 1 calc R . .
H41C H 0.6920 -0.0839 0.1618 0.051 Uiso 1 calc R . .
C42 C 0.5889(10) -0.0718(6) 0.2817(6) 0.030(3) Uani 1 d . . .
C43 C 0.5626(10) -0.1525(6) 0.2578(6) 0.032(3) Uani 1 d . . .
H43 H 0.5420 -0.1681 0.2121 0.039 Uiso 1 calc R . .
C44 C 0.5679(11) -0.2092(7) 0.3037(6) 0.039(3) Uani 1 d . . .
H44 H 0.5525 -0.2634 0.2885 0.047 Uiso 1 calc R . .
C45 C 0.5950(10) -0.1867(7) 0.3699(6) 0.039(3) Uani 1 d . . .
H45 H 0.5961 -0.2257 0.3997 0.046 Uiso 1 calc R . .
C46 C 0.6209(10) -0.1079(7) 0.3944(6) 0.038(3) Uani 1 d . . .
H46 H 0.6412 -0.0936 0.4403 0.046 Uiso 1 calc R . .
C47 C 0.6165(9) -0.0482(6) 0.3490(6) 0.031(3) Uani 1 d . . .
C48 C 0.5411(10) 0.0724(7) 0.4390(6) 0.042(3) Uani 1 d . . .
H48A H 0.4608 0.0694 0.4137 0.063 Uiso 1 calc R . .
H48B H 0.5583 0.1230 0.4661 0.063 Uiso 1 calc R . .
H48C H 0.5512 0.0293 0.4673 0.063 Uiso 1 calc R . .
C49 C 0.7943(11) 0.0700(7) 0.4425(5) 0.038(3) Uani 1 d . . .
H49A H 0.8575 0.0666 0.4191 0.057 Uiso 1 calc R . .
H49B H 0.7958 0.0264 0.4702 0.057 Uiso 1 calc R . .
H49C H 0.8042 0.1203 0.4701 0.057 Uiso 1 calc R . .
As51 As 0.42132(9) 0.15409(6) 0.28086(5) 0.0241(3) Uani 1 d . . .
As52 As 0.58808(9) 0.20436(6) 0.18030(5) 0.0216(3) Uani 1 d . . .
C50 C 0.3135(10) 0.0604(7) 0.2730(6) 0.042(3) Uani 1 d . . .
H50A H 0.3292 0.0209 0.2399 0.063 Uiso 1 calc R . .
H50B H 0.2333 0.0754 0.2599 0.063 Uiso 1 calc R . .
H50C H 0.3243 0.0383 0.3154 0.063 Uiso 1 calc R . .
C51 C 0.3704(10) 0.2190(8) 0.3485(6) 0.046(3) Uani 1 d . . .
H51A H 0.3987 0.1991 0.3911 0.069 Uiso 1 calc R . .
H51B H 0.2853 0.2172 0.3388 0.069 Uiso 1 calc R . .
H51C H 0.4015 0.2735 0.3498 0.069 Uiso 1 calc R . .
C52 C 0.3533(9) 0.2056(6) 0.2030(5) 0.029(3) Uani 1 d . . .
C53 C 0.2362(10) 0.2216(8) 0.1896(6) 0.042(3) Uani 1 d . . .
H53 H 0.1891 0.2076 0.2189 0.050 Uiso 1 calc R . .
C54 C 0.1863(11) 0.2582(8) 0.1333(6) 0.048(4) Uani 1 d . . .
H54 H 0.1062 0.2681 0.1240 0.058 Uiso 1 calc R . .
C55 C 0.2571(12) 0.2792(8) 0.0921(7) 0.055(4) Uani 1 d . . .
H55 H 0.2247 0.3056 0.0550 0.066 Uiso 1 calc R . .
C56 C 0.3741(11) 0.2632(7) 0.1027(6) 0.040(3) Uani 1 d . . .
H56 H 0.4190 0.2759 0.0720 0.048 Uiso 1 calc R . .
C57 C 0.4260(10) 0.2272(6) 0.1607(5) 0.027(3) Uani 1 d . . .
C58 C 0.6034(10) 0.1497(7) 0.0986(5) 0.033(3) Uani 1 d . . .
H58A H 0.6835 0.1348 0.1024 0.049 Uiso 1 calc R . .
H58B H 0.5841 0.1843 0.0634 0.049 Uiso 1 calc R . .
H58C H 0.5503 0.1022 0.0884 0.049 Uiso 1 calc R . .
C59 C 0.6632(12) 0.3067(7) 0.1718(6) 0.046(3) Uani 1 d . . .
H59A H 0.6632 0.3428 0.2106 0.069 Uiso 1 calc R . .
H59B H 0.6204 0.3285 0.1326 0.069 Uiso 1 calc R . .
H59C H 0.7434 0.2999 0.1678 0.069 Uiso 1 calc R . .
As61 As 0.83850(9) 0.13786(6) 0.28594(5) 0.0212(3) Uani 1 d . . .
As62 As 0.68757(9) 0.26441(6) 0.35487(5) 0.0211(3) Uani 1 d . . .
C60 C 0.9298(10) 0.0488(7) 0.3130(6) 0.038(3) Uani 1 d . . .
H60A H 0.8951 0.0008 0.2855 0.056 Uiso 1 calc R . .
H60B H 0.9302 0.0421 0.3589 0.056 Uiso 1 calc R . .
H60C H 1.0097 0.0590 0.3081 0.056 Uiso 1 calc R . .
C61 C 0.8995(10) 0.1581(7) 0.2098(6) 0.038(3) Uani 1 d . . .
H61A H 0.8659 0.1179 0.1736 0.058 Uiso 1 calc R . .
H61B H 0.9842 0.1563 0.2205 0.058 Uiso 1 calc R . .
H61C H 0.8791 0.2102 0.1967 0.058 Uiso 1 calc R . .
C62 C 0.9218(9) 0.2258(6) 0.3458(5) 0.021(2) Uani 1 d . . .
C63 C 1.0452(10) 0.2362(6) 0.3617(5) 0.028(3) Uani 1 d . . .
H63 H 1.0905 0.1976 0.3460 0.034 Uiso 1 calc R . .
C64 C 1.0984(10) 0.3029(7) 0.4003(6) 0.037(3) Uani 1 d . . .
H64 H 1.1809 0.3095 0.4104 0.044 Uiso 1 calc R . .
C65 C 1.0369(11) 0.3602(6) 0.4248(5) 0.031(3) Uani 1 d . . .
H65 H 1.0763 0.4054 0.4512 0.037 Uiso 1 calc R . .
C66 C 0.9155(11) 0.3509(7) 0.4101(5) 0.034(3) Uani 1 d . . .
H66 H 0.8720 0.3898 0.4270 0.041 Uiso 1 calc R . .
C67 C 0.8574(10) 0.2843(6) 0.3704(5) 0.026(3) Uani 1 d . . .
C68 C 0.6707(10) 0.2770(7) 0.4464(5) 0.032(3) Uani 1 d . . .
H68A H 0.5885 0.2686 0.4475 0.049 Uiso 1 calc R . .
H68B H 0.6997 0.3302 0.4659 0.049 Uiso 1 calc R . .
H68C H 0.7156 0.2383 0.4712 0.049 Uiso 1 calc R . .
C69 C 0.6298(12) 0.3652(7) 0.3283(6) 0.045(3) Uani 1 d . . .
H69A H 0.5447 0.3615 0.3190 0.068 Uiso 1 calc R . .
H69B H 0.6562 0.3776 0.2888 0.068 Uiso 1 calc R . .
H69C H 0.6598 0.4070 0.3637 0.068 Uiso 1 calc R . .
Cl1 Cl 0.7767(3) -0.04778(18) 0.57735(13) 0.0370(7) Uani 1 d . . .
Cl2 Cl -0.1192(3) 0.2719(2) 0.07381(15) 0.0476(9) Uani 1 d . . .
Cl3 Cl 0.7174(3) 0.5104(2) 0.47517(18) 0.0622(10) Uani 1 d . . .
Cl4 Cl 0.5617(4) -0.1865(2) 0.06913(17) 0.0646(11) Uani 1 d . . .
O1W O -0.3727(9) 0.3148(6) 0.0000(5) 0.059(3) Uiso 1 d D . .
H1WA H -0.337(7) 0.288(4) -0.020(4) 0.002(10) Uiso 1 d D . .
H1WB H -0.404(7) 0.327(5) 0.029(3) 0.002(10) Uiso 1 d D . .
O2W O 0.4592(11) 0.4190(7) 0.4335(6) 0.075(3) Uiso 1 d D . .
H2WA H 0.443(7) 0.392(4) 0.459(3) 0.002(10) Uiso 1 d D . .
H2WB H 0.494(6) 0.457(3) 0.426(4) 0.002(10) Uiso 1 d D . .
O1D O 0.0964(14) -0.0378(9) 0.1269(7) 0.124(5) Uiso 1 d . . .
N1D N 0.1602(12) -0.0010(8) 0.0379(7) 0.073(4) Uiso 1 d . . .
C1D C 0.121(3) 0.0206(17) 0.0905(14) 0.159(10) Uiso 1 d . . .
H1DA H 0.0488 0.0481 0.0764 0.191 Uiso 1 calc R . .
H1DB H 0.1786 0.0592 0.1191 0.191 Uiso 1 calc R . .
C2D C 0.179(2) -0.0800(16) 0.0195(13) 0.159(10) Uiso 1 d . . .
H2DA H 0.2100 -0.0826 -0.0204 0.191 Uiso 1 calc R . .
H2DB H 0.1058 -0.1123 0.0114 0.191 Uiso 1 calc R . .
H2DC H 0.2355 -0.1000 0.0549 0.191 Uiso 1 calc R . .
C3D C 0.195(2) 0.0592(16) -0.0007(13) 0.167(11) Uiso 1 d . . .
H3DA H 0.2228 0.0339 -0.0377 0.201 Uiso 1 calc R . .
H3DB H 0.2579 0.0945 0.0268 0.201 Uiso 1 calc R . .
H3DC H 0.1286 0.0896 -0.0173 0.201 Uiso 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 0.0020 0.0020 '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'
As As -0.0300 2.0070 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1320 0.1590 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0040 0.0030 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0080 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.4200 0.8360 '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
As32 Ru1 As12 176.64(6) . . ?
As32 Ru1 As22 90.19(4) . . ?
As12 Ru1 As22 92.52(5) . . ?
As32 Ru1 As21 90.67(5) . . ?
As12 Ru1 As21 91.59(5) . . ?
As22 Ru1 As21 84.13(5) . . ?
As32 Ru1 As31 84.00(4) . . ?
As12 Ru1 As31 93.55(5) . . ?
As22 Ru1 As31 170.98(5) . . ?
As21 Ru1 As31 89.04(5) . . ?
As32 Ru1 As11 94.89(5) . . ?
As12 Ru1 As11 83.19(5) . . ?
As22 Ru1 As11 88.70(5) . . ?
As21 Ru1 As11 170.94(6) . . ?
As31 Ru1 As11 98.64(5) . . ?
C10 As11 C12 100.4(5) . . ?
C10 As11 C11 97.0(5) . . ?
C12 As11 C11 99.5(5) . . ?
C10 As11 Ru1 125.4(4) . . ?
C12 As11 Ru1 108.4(3) . . ?
C11 As11 Ru1 121.6(4) . . ?
C19 As12 C17 101.9(5) . . ?
C19 As12 C18 99.2(5) . . ?
C17 As12 C18 100.7(5) . . ?
C19 As12 Ru1 120.6(4) . . ?
C17 As12 Ru1 109.2(3) . . ?
C18 As12 Ru1 121.9(4) . . ?
C17 C12 C13 119.4(10) . . ?
C17 C12 As11 118.8(8) . . ?
C13 C12 As11 121.8(8) . . ?
C14 C13 C12 119.0(10) . . ?
C13 C14 C15 121.8(11) . . ?
C16 C15 C14 119.1(10) . . ?
C15 C16 C17 121.0(11) . . ?
C16 C17 C12 119.7(10) . . ?
C16 C17 As12 121.4(8) . . ?
C12 C17 As12 118.9(8) . . ?
C21 As21 C22 103.2(5) . . ?
C21 As21 C20 98.4(5) . . ?
C22 As21 C20 99.3(5) . . ?
C21 As21 Ru1 121.2(4) . . ?
C22 As21 Ru1 109.3(3) . . ?
C20 As21 Ru1 121.9(4) . . ?
C27 As22 C29 99.1(5) . . ?
C27 As22 C28 102.0(5) . . ?
C29 As22 C28 99.2(5) . . ?
C27 As22 Ru1 108.9(3) . . ?
C29 As22 Ru1 123.5(4) . . ?
C28 As22 Ru1 120.4(3) . . ?
C23 C22 C27 119.2(10) . . ?
C23 C22 As21 123.3(9) . . ?
C27 C22 As21 117.5(8) . . ?
C24 C23 C22 121.2(11) . . ?
C25 C24 C23 120.1(12) . . ?
C26 C25 C24 120.0(11) . . ?
C25 C26 C27 121.5(10) . . ?
C26 C27 C22 117.9(10) . . ?
C26 C27 As22 122.0(8) . . ?
C22 C27 As22 120.1(8) . . ?
C32 As31 C30 101.2(5) . . ?
C32 As31 C31 99.6(5) . . ?
C30 As31 C31 98.9(5) . . ?
C32 As31 Ru1 107.2(3) . . ?
C30 As31 Ru1 124.6(4) . . ?
C31 As31 Ru1 121.2(4) . . ?
C39 As32 C38 100.1(5) . . ?
C39 As32 C37 102.8(5) . . ?
C38 As32 C37 100.2(5) . . ?
C39 As32 Ru1 119.8(4) . . ?
C38 As32 Ru1 121.9(4) . . ?
C37 As32 Ru1 108.9(3) . . ?
C37 C32 C33 116.9(10) . . ?
C37 C32 As31 122.2(9) . . ?
C33 C32 As31 120.8(7) . . ?
C34 C33 C32 120.3(10) . . ?
C33 C34 C35 122.0(11) . . ?
C36 C35 C34 118.7(10) . . ?
C35 C36 C37 120.3(10) . . ?
C32 C37 C36 121.7(10) . . ?
C32 C37 As32 116.5(8) . . ?
C36 C37 As32 121.8(8) . . ?
As41 Ru2 As51 93.00(5) . . ?
As41 Ru2 As42 84.12(5) . . ?
As51 Ru2 As42 90.90(5) . . ?
As41 Ru2 As62 172.97(5) . . ?
As51 Ru2 As62 92.63(5) . . ?
As42 Ru2 As62 91.60(5) . . ?
As41 Ru2 As61 90.76(5) . . ?
As51 Ru2 As61 175.24(5) . . ?
As42 Ru2 As61 92.39(5) . . ?
As62 Ru2 As61 83.84(5) . . ?
As41 Ru2 As52 90.05(5) . . ?
As51 Ru2 As52 84.29(4) . . ?
As42 Ru2 As52 172.25(6) . . ?
As62 Ru2 As52 94.69(5) . . ?
As61 Ru2 As52 92.79(4) . . ?
C41 As41 C40 100.5(5) . . ?
C41 As41 C42 100.8(5) . . ?
C40 As41 C42 103.5(5) . . ?
C41 As41 Ru2 118.4(3) . . ?
C40 As41 Ru2 121.7(4) . . ?
C42 As41 Ru2 109.2(4) . . ?
C48 As42 C49 100.1(5) . . ?
C48 As42 C47 99.6(5) . . ?
C49 As42 C47 104.4(5) . . ?
C48 As42 Ru2 122.5(3) . . ?
C49 As42 Ru2 118.7(3) . . ?
C47 As42 Ru2 108.8(3) . . ?
C47 C42 C43 121.1(10) . . ?
C47 C42 As41 117.9(8) . . ?
C43 C42 As41 121.0(8) . . ?
C44 C43 C42 118.6(11) . . ?
C45 C44 C43 120.8(11) . . ?
C44 C45 C46 121.6(10) . . ?
C45 C46 C47 119.2(11) . . ?
C42 C47 C46 118.7(10) . . ?
C42 C47 As42 119.7(8) . . ?
C46 C47 As42 121.6(9) . . ?
C51 As51 C52 100.8(5) . . ?
C51 As51 C50 99.7(5) . . ?
C52 As51 C50 102.1(5) . . ?
C51 As51 Ru2 121.5(4) . . ?
C52 As51 Ru2 108.9(3) . . ?
C50 As51 Ru2 120.6(4) . . ?
C58 As52 C57 101.7(5) . . ?
C58 As52 C59 98.6(5) . . ?
C57 As52 C59 101.0(5) . . ?
C58 As52 Ru2 121.2(3) . . ?
C57 As52 Ru2 108.4(3) . . ?
C59 As52 Ru2 122.4(4) . . ?
C53 C52 C57 120.5(10) . . ?
C53 C52 As51 120.9(8) . . ?
C57 C52 As51 118.6(8) . . ?
C52 C53 C54 121.3(11) . . ?
C55 C54 C53 118.3(12) . . ?
C54 C55 C56 122.6(11) . . ?
C55 C56 C57 119.3(11) . . ?
C52 C57 C56 117.9(10) . . ?
C52 C57 As52 119.7(7) . . ?
C56 C57 As52 122.3(8) . . ?
C61 As61 C62 98.2(5) . . ?
C61 As61 C60 98.5(5) . . ?
C62 As61 C60 102.7(5) . . ?
C61 As61 Ru2 121.5(3) . . ?
C62 As61 Ru2 109.1(3) . . ?
C60 As61 Ru2 122.9(4) . . ?
C69 As62 C68 98.3(5) . . ?
C69 As62 C67 102.9(5) . . ?
C68 As62 C67 98.8(5) . . ?
C69 As62 Ru2 121.7(4) . . ?
C68 As62 Ru2 122.3(3) . . ?
C67 As62 Ru2 109.2(3) . . ?
C67 C62 C63 118.7(10) . . ?
C67 C62 As61 118.9(8) . . ?
C63 C62 As61 122.3(8) . . ?
C64 C63 C62 119.3(10) . . ?
C65 C64 C63 122.7(11) . . ?
C64 C65 C66 119.0(11) . . ?
C65 C66 C67 120.4(11) . . ?
C66 C67 C62 120.0(10) . . ?
C66 C67 As62 121.6(9) . . ?
C62 C67 As62 118.1(8) . . ?
C1D N1D C2D 123(2) . . ?
C1D N1D C3D 119(2) . . ?
C2D N1D C3D 117.4(18) . . ?
N1D C1D O1D 117(2) . . ?
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 As32 2.4399(13) . ?
Ru1 As12 2.4446(13) . ?
Ru1 As22 2.4462(14) . ?
Ru1 As21 2.4532(16) . ?
Ru1 As31 2.4566(14) . ?
Ru1 As11 2.4706(15) . ?
As11 C10 1.937(12) . ?
As11 C12 1.940(11) . ?
As11 C11 1.943(10) . ?
As12 C19 1.918(12) . ?
As12 C17 1.931(11) . ?
As12 C18 1.938(11) . ?
C12 C17 1.396(15) . ?
C12 C13 1.419(15) . ?
C13 C14 1.360(15) . ?
C14 C15 1.408(16) . ?
C15 C16 1.360(16) . ?
C16 C17 1.394(14) . ?
As21 C21 1.928(12) . ?
As21 C22 1.934(11) . ?
As21 C20 1.963(10) . ?
As22 C27 1.916(11) . ?
As22 C29 1.932(10) . ?
As22 C28 1.933(12) . ?
C22 C23 1.386(16) . ?
C22 C27 1.428(14) . ?
C23 C24 1.385(16) . ?
C24 C25 1.384(16) . ?
C25 C26 1.373(16) . ?
C26 C27 1.409(15) . ?
As31 C32 1.900(12) . ?
As31 C30 1.923(13) . ?
As31 C31 1.967(11) . ?
As32 C39 1.918(11) . ?
As32 C38 1.924(10) . ?
As32 C37 1.940(11) . ?
C32 C37 1.394(13) . ?
C32 C33 1.451(15) . ?
C33 C34 1.353(15) . ?
C34 C35 1.400(15) . ?
C35 C36 1.389(15) . ?
C36 C37 1.395(14) . ?
Ru2 As41 2.4321(16) . ?
Ru2 As51 2.4325(14) . ?
Ru2 As42 2.4381(13) . ?
Ru2 As62 2.4418(16) . ?
Ru2 As61 2.4468(14) . ?
Ru2 As52 2.4586(13) . ?
As41 C41 1.922(11) . ?
As41 C40 1.929(11) . ?
As41 C42 1.953(10) . ?
As42 C48 1.920(12) . ?
As42 C49 1.923(11) . ?
As42 C47 1.935(11) . ?
C42 C47 1.385(16) . ?
C42 C43 1.408(15) . ?
C43 C44 1.401(14) . ?
C44 C45 1.360(16) . ?
C45 C46 1.380(17) . ?
C46 C47 1.433(14) . ?
As51 C51 1.923(13) . ?
As51 C52 1.938(10) . ?
As51 C50 1.949(11) . ?
As52 C58 1.911(11) . ?
As52 C57 1.915(11) . ?
As52 C59 1.940(11) . ?
C52 C53 1.382(15) . ?
C52 C57 1.405(14) . ?
C53 C54 1.398(15) . ?
C54 C55 1.368(17) . ?
C55 C56 1.381(17) . ?
C56 C57 1.427(14) . ?
As61 C61 1.919(10) . ?
As61 C62 1.931(11) . ?
As61 C60 1.939(10) . ?
As62 C69 1.942(11) . ?
As62 C68 1.947(10) . ?
As62 C67 1.949(11) . ?
C62 C67 1.400(14) . ?
C62 C63 1.407(14) . ?
C63 C64 1.367(16) . ?
C64 C65 1.361(16) . ?
C65 C66 1.385(16) . ?
C66 C67 1.392(16) . ?
O1D C1D 1.35(3) . ?
N1D C1D 1.31(3) . ?
N1D C2D 1.40(3) . ?
N1D C3D 1.44(2) . ?
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
As32 Ru1 As11 C10 -69.5(4) . . . . ?
As12 Ru1 As11 C10 107.8(4) . . . . ?
As22 Ru1 As11 C10 -159.5(4) . . . . ?
As21 Ru1 As11 C10 162.9(5) . . . . ?
As31 Ru1 As11 C10 15.2(4) . . . . ?
As32 Ru1 As11 C12 172.5(3) . . . . ?
As12 Ru1 As11 C12 -10.3(3) . . . . ?
As22 Ru1 As11 C12 82.4(3) . . . . ?
As21 Ru1 As11 C12 44.8(5) . . . . ?
As31 Ru1 As11 C12 -102.9(3) . . . . ?
As32 Ru1 As11 C11 58.4(4) . . . . ?
As12 Ru1 As11 C11 -124.4(4) . . . . ?
As22 Ru1 As11 C11 -31.7(4) . . . . ?
As21 Ru1 As11 C11 -69.3(5) . . . . ?
As31 Ru1 As11 C11 143.0(4) . . . . ?
As32 Ru1 As12 C19 -176.8(10) . . . . ?
As22 Ru1 As12 C19 39.6(4) . . . . ?
As21 Ru1 As12 C19 -44.6(4) . . . . ?
As31 Ru1 As12 C19 -133.7(4) . . . . ?
As11 Ru1 As12 C19 128.0(4) . . . . ?
As32 Ru1 As12 C17 65.8(10) . . . . ?
As22 Ru1 As12 C17 -77.8(3) . . . . ?
As21 Ru1 As12 C17 -162.0(3) . . . . ?
As31 Ru1 As12 C17 108.9(3) . . . . ?
As11 Ru1 As12 C17 10.6(3) . . . . ?
As32 Ru1 As12 C18 -50.9(10) . . . . ?
As22 Ru1 As12 C18 165.5(5) . . . . ?
As21 Ru1 As12 C18 81.3(5) . . . . ?
As31 Ru1 As12 C18 -7.8(5) . . . . ?
As11 Ru1 As12 C18 -106.1(5) . . . . ?
C10 As11 C12 C17 -124.6(9) . . . . ?
C11 As11 C12 C17 136.4(9) . . . . ?
Ru1 As11 C12 C17 8.4(9) . . . . ?
C10 As11 C12 C13 55.7(9) . . . . ?
C11 As11 C12 C13 -43.3(9) . . . . ?
Ru1 As11 C12 C13 -171.3(7) . . . . ?
C17 C12 C13 C14 1.4(15) . . . . ?
As11 C12 C13 C14 -178.9(8) . . . . ?
C12 C13 C14 C15 -0.2(16) . . . . ?
C13 C14 C15 C16 -0.9(17) . . . . ?
C14 C15 C16 C17 0.8(17) . . . . ?
C15 C16 C17 C12 0.4(16) . . . . ?
C15 C16 C17 As12 178.6(8) . . . . ?
C13 C12 C17 C16 -1.5(15) . . . . ?
As11 C12 C17 C16 178.8(8) . . . . ?
C13 C12 C17 As12 -179.8(7) . . . . ?
As11 C12 C17 As12 0.6(12) . . . . ?
C19 As12 C17 C16 43.7(10) . . . . ?
C18 As12 C17 C16 -58.2(10) . . . . ?
Ru1 As12 C17 C16 172.4(8) . . . . ?
C19 As12 C17 C12 -138.1(9) . . . . ?
C18 As12 C17 C12 120.0(9) . . . . ?
Ru1 As12 C17 C12 -9.4(9) . . . . ?
As32 Ru1 As21 C21 29.8(5) . . . . ?
As12 Ru1 As21 C21 -147.7(5) . . . . ?
As22 Ru1 As21 C21 119.9(5) . . . . ?
As31 Ru1 As21 C21 -54.2(5) . . . . ?
As11 Ru1 As21 C21 157.7(5) . . . . ?
As32 Ru1 As21 C22 -90.0(3) . . . . ?
As12 Ru1 As21 C22 92.5(3) . . . . ?
As22 Ru1 As21 C22 0.1(3) . . . . ?
As31 Ru1 As21 C22 -174.0(3) . . . . ?
As11 Ru1 As21 C22 37.9(5) . . . . ?
As32 Ru1 As21 C20 155.1(4) . . . . ?
As12 Ru1 As21 C20 -22.4(4) . . . . ?
As22 Ru1 As21 C20 -114.8(4) . . . . ?
As31 Ru1 As21 C20 71.1(4) . . . . ?
As11 Ru1 As21 C20 -77.0(6) . . . . ?
As32 Ru1 As22 C27 91.7(3) . . . . ?
As12 Ru1 As22 C27 -90.3(3) . . . . ?
As21 Ru1 As22 C27 1.1(3) . . . . ?
As31 Ru1 As22 C27 42.0(5) . . . . ?
As11 Ru1 As22 C27 -173.4(3) . . . . ?
As32 Ru1 As22 C29 -23.6(4) . . . . ?
As12 Ru1 As22 C29 154.4(4) . . . . ?
As21 Ru1 As22 C29 -114.3(4) . . . . ?
As31 Ru1 As22 C29 -73.3(5) . . . . ?
As11 Ru1 As22 C29 71.3(4) . . . . ?
As32 Ru1 As22 C28 -151.1(4) . . . . ?
As12 Ru1 As22 C28 26.9(4) . . . . ?
As21 Ru1 As22 C28 118.2(4) . . . . ?
As31 Ru1 As22 C28 159.1(5) . . . . ?
As11 Ru1 As22 C28 -56.3(4) . . . . ?
C21 As21 C22 C23 49.8(10) . . . . ?
C20 As21 C22 C23 -51.2(10) . . . . ?
Ru1 As21 C22 C23 -179.9(8) . . . . ?
C21 As21 C22 C27 -132.1(8) . . . . ?
C20 As21 C22 C27 126.9(8) . . . . ?
Ru1 As21 C22 C27 -1.8(8) . . . . ?
C27 C22 C23 C24 1.2(16) . . . . ?
As21 C22 C23 C24 179.3(8) . . . . ?
C22 C23 C24 C25 -1.0(17) . . . . ?
C23 C24 C25 C26 0.6(17) . . . . ?
C24 C25 C26 C27 -0.5(16) . . . . ?
C25 C26 C27 C22 0.7(15) . . . . ?
C25 C26 C27 As22 178.5(8) . . . . ?
C23 C22 C27 C26 -1.0(15) . . . . ?
As21 C22 C27 C26 -179.2(7) . . . . ?
C23 C22 C27 As22 -178.9(8) . . . . ?
As21 C22 C27 As22 2.9(11) . . . . ?
C29 As22 C27 C26 -50.2(9) . . . . ?
C28 As22 C27 C26 51.3(9) . . . . ?
Ru1 As22 C27 C26 179.5(7) . . . . ?
C29 As22 C27 C22 127.6(8) . . . . ?
C28 As22 C27 C22 -130.9(8) . . . . ?
Ru1 As22 C27 C22 -2.6(8) . . . . ?
As32 Ru1 As31 C32 -9.2(4) . . . . ?
As12 Ru1 As31 C32 173.1(4) . . . . ?
As22 Ru1 As31 C32 40.9(5) . . . . ?
As21 Ru1 As31 C32 81.6(4) . . . . ?
As11 Ru1 As31 C32 -103.2(4) . . . . ?
As32 Ru1 As31 C30 108.3(5) . . . . ?
As12 Ru1 As31 C30 -69.4(5) . . . . ?
As22 Ru1 As31 C30 158.4(6) . . . . ?
As21 Ru1 As31 C30 -160.9(5) . . . . ?
As11 Ru1 As31 C30 14.2(5) . . . . ?
As32 Ru1 As31 C31 -122.2(4) . . . . ?
As12 Ru1 As31 C31 60.1(4) . . . . ?
As22 Ru1 As31 C31 -72.1(5) . . . . ?
As21 Ru1 As31 C31 -31.5(4) . . . . ?
As11 Ru1 As31 C31 143.7(4) . . . . ?
As12 Ru1 As32 C39 169.7(10) . . . . ?
As22 Ru1 As32 C39 -46.6(4) . . . . ?
As21 Ru1 As32 C39 37.5(4) . . . . ?
As31 Ru1 As32 C39 126.5(4) . . . . ?
As11 Ru1 As32 C39 -135.3(4) . . . . ?
As12 Ru1 As32 C38 -63.8(10) . . . . ?
As22 Ru1 As32 C38 79.8(4) . . . . ?
As21 Ru1 As32 C38 163.9(4) . . . . ?
As31 Ru1 As32 C38 -107.1(4) . . . . ?
As11 Ru1 As32 C38 -8.9(4) . . . . ?
As12 Ru1 As32 C37 51.9(10) . . . . ?
As22 Ru1 As32 C37 -164.5(4) . . . . ?
As21 Ru1 As32 C37 -80.3(4) . . . . ?
As31 Ru1 As32 C37 8.6(4) . . . . ?
As11 Ru1 As32 C37 106.8(4) . . . . ?
C30 As31 C32 C37 -122.8(10) . . . . ?
C31 As31 C32 C37 136.0(10) . . . . ?
Ru1 As31 C32 C37 9.0(10) . . . . ?
C30 As31 C32 C33 56.6(10) . . . . ?
C31 As31 C32 C33 -44.6(10) . . . . ?
Ru1 As31 C32 C33 -171.6(8) . . . . ?
C37 C32 C33 C34 -2.3(17) . . . . ?
As31 C32 C33 C34 178.3(9) . . . . ?
C32 C33 C34 C35 1.9(19) . . . . ?
C33 C34 C35 C36 -1(2) . . . . ?
C34 C35 C36 C37 0.5(19) . . . . ?
C33 C32 C37 C36 1.8(17) . . . . ?
As31 C32 C37 C36 -178.8(9) . . . . ?
C33 C32 C37 As32 178.6(8) . . . . ?
As31 C32 C37 As32 -2.0(13) . . . . ?
C35 C36 C37 C32 -1.0(18) . . . . ?
C35 C36 C37 As32 -177.6(10) . . . . ?
C39 As32 C37 C32 -134.4(9) . . . . ?
C38 As32 C37 C32 122.8(9) . . . . ?
Ru1 As32 C37 C32 -6.2(9) . . . . ?
C39 As32 C37 C36 42.5(10) . . . . ?
C38 As32 C37 C36 -60.4(10) . . . . ?
Ru1 As32 C37 C36 170.6(9) . . . . ?
As51 Ru2 As41 C41 158.3(4) . . . . ?
As42 Ru2 As41 C41 -111.1(4) . . . . ?
As62 Ru2 As41 C41 -58.5(6) . . . . ?
As61 Ru2 As41 C41 -18.8(4) . . . . ?
As52 Ru2 As41 C41 74.0(4) . . . . ?
As51 Ru2 As41 C40 33.0(4) . . . . ?
As42 Ru2 As41 C40 123.6(4) . . . . ?
As62 Ru2 As41 C40 176.2(6) . . . . ?
As61 Ru2 As41 C40 -144.1(4) . . . . ?
As52 Ru2 As41 C40 -51.3(4) . . . . ?
As51 Ru2 As41 C42 -87.3(3) . . . . ?
As42 Ru2 As41 C42 3.3(3) . . . . ?
As62 Ru2 As41 C42 55.9(6) . . . . ?
As61 Ru2 As41 C42 95.6(3) . . . . ?
As52 Ru2 As41 C42 -171.6(3) . . . . ?
As41 Ru2 As42 C48 -116.9(5) . . . . ?
As51 Ru2 As42 C48 -24.0(5) . . . . ?
As62 Ru2 As42 C48 68.7(5) . . . . ?
As61 Ru2 As42 C48 152.6(5) . . . . ?
As52 Ru2 As42 C48 -75.5(6) . . . . ?
As41 Ru2 As42 C49 117.4(4) . . . . ?
As51 Ru2 As42 C49 -149.7(4) . . . . ?
As62 Ru2 As42 C49 -57.1(4) . . . . ?
As61 Ru2 As42 C49 26.8(4) . . . . ?
As52 Ru2 As42 C49 158.7(6) . . . . ?
As41 Ru2 As42 C47 -1.7(3) . . . . ?
As51 Ru2 As42 C47 91.2(3) . . . . ?
As62 Ru2 As42 C47 -176.2(3) . . . . ?
As61 Ru2 As42 C47 -92.3(3) . . . . ?
As52 Ru2 As42 C47 39.6(5) . . . . ?
C41 As41 C42 C47 120.3(9) . . . . ?
C40 As41 C42 C47 -136.0(9) . . . . ?
Ru2 As41 C42 C47 -5.1(9) . . . . ?
C41 As41 C42 C43 -58.2(10) . . . . ?
C40 As41 C42 C43 45.5(10) . . . . ?
Ru2 As41 C42 C43 176.5(8) . . . . ?
C47 C42 C43 C44 -1.6(16) . . . . ?
As41 C42 C43 C44 176.8(8) . . . . ?
C42 C43 C44 C45 1.6(17) . . . . ?
C43 C44 C45 C46 -1.5(18) . . . . ?
C44 C45 C46 C47 1.5(17) . . . . ?
C43 C42 C47 C46 1.6(16) . . . . ?
As41 C42 C47 C46 -176.9(8) . . . . ?
C43 C42 C47 As42 -177.6(8) . . . . ?
As41 C42 C47 As42 3.9(12) . . . . ?
C45 C46 C47 C42 -1.5(16) . . . . ?
C45 C46 C47 As42 177.7(9) . . . . ?
C48 As42 C47 C42 128.4(9) . . . . ?
C49 As42 C47 C42 -128.6(9) . . . . ?
Ru2 As42 C47 C42 -0.9(10) . . . . ?
C48 As42 C47 C46 -50.9(9) . . . . ?
C49 As42 C47 C46 52.2(9) . . . . ?
Ru2 As42 C47 C46 179.9(8) . . . . ?
As41 Ru2 As51 C51 153.5(4) . . . . ?
As42 Ru2 As51 C51 69.4(4) . . . . ?
As62 Ru2 As51 C51 -22.3(4) . . . . ?
As61 Ru2 As51 C51 -64.4(8) . . . . ?
As52 Ru2 As51 C51 -116.7(4) . . . . ?
As41 Ru2 As51 C52 -90.2(4) . . . . ?
As42 Ru2 As51 C52 -174.4(4) . . . . ?
As62 Ru2 As51 C52 94.0(4) . . . . ?
As61 Ru2 As51 C52 51.9(8) . . . . ?
As52 Ru2 As51 C52 -0.4(4) . . . . ?
As41 Ru2 As51 C50 27.2(4) . . . . ?
As42 Ru2 As51 C50 -57.0(4) . . . . ?
As62 Ru2 As51 C50 -148.6(4) . . . . ?
As61 Ru2 As51 C50 169.3(8) . . . . ?
As52 Ru2 As51 C50 116.9(4) . . . . ?
As41 Ru2 As52 C58 -23.2(4) . . . . ?
As51 Ru2 As52 C58 -116.2(4) . . . . ?
As42 Ru2 As52 C58 -64.2(6) . . . . ?
As62 Ru2 As52 C58 151.6(4) . . . . ?
As61 Ru2 As52 C58 67.6(4) . . . . ?
As41 Ru2 As52 C57 93.7(3) . . . . ?
As51 Ru2 As52 C57 0.7(3) . . . . ?
As42 Ru2 As52 C57 52.7(5) . . . . ?
As62 Ru2 As52 C57 -91.5(3) . . . . ?
As61 Ru2 As52 C57 -175.5(3) . . . . ?
As41 Ru2 As52 C59 -149.5(4) . . . . ?
As51 Ru2 As52 C59 117.5(4) . . . . ?
As42 Ru2 As52 C59 169.4(6) . . . . ?
As62 Ru2 As52 C59 25.3(4) . . . . ?
As61 Ru2 As52 C59 -58.7(4) . . . . ?
C51 As51 C52 C53 -50.4(11) . . . . ?
C50 As51 C52 C53 52.1(11) . . . . ?
Ru2 As51 C52 C53 -179.3(9) . . . . ?
C51 As51 C52 C57 128.9(9) . . . . ?
C50 As51 C52 C57 -128.6(9) . . . . ?
Ru2 As51 C52 C57 0.0(10) . . . . ?
C57 C52 C53 C54 1(2) . . . . ?
As51 C52 C53 C54 -179.5(10) . . . . ?
C52 C53 C54 C55 -1(2) . . . . ?
C53 C54 C55 C56 2(2) . . . . ?
C54 C55 C56 C57 -4(2) . . . . ?
C53 C52 C57 C56 -2.3(17) . . . . ?
As51 C52 C57 C56 178.4(9) . . . . ?
C53 C52 C57 As52 -180.0(10) . . . . ?
As51 C52 C57 As52 0.7(13) . . . . ?
C55 C56 C57 C52 3.4(18) . . . . ?
C55 C56 C57 As52 -179.0(10) . . . . ?
C58 As52 C57 C52 127.8(9) . . . . ?
C59 As52 C57 C52 -130.9(9) . . . . ?
Ru2 As52 C57 C52 -1.0(10) . . . . ?
C58 As52 C57 C56 -49.8(10) . . . . ?
C59 As52 C57 C56 51.5(11) . . . . ?
Ru2 As52 C57 C56 -178.7(9) . . . . ?
As41 Ru2 As61 C61 76.6(4) . . . . ?
As51 Ru2 As61 C61 -65.6(8) . . . . ?
As42 Ru2 As61 C61 160.7(4) . . . . ?
As62 Ru2 As61 C61 -107.9(4) . . . . ?
As52 Ru2 As61 C61 -13.5(4) . . . . ?
As41 Ru2 As61 C62 -170.5(3) . . . . ?
As51 Ru2 As61 C62 47.3(7) . . . . ?
As42 Ru2 As61 C62 -86.4(3) . . . . ?
As62 Ru2 As61 C62 5.0(3) . . . . ?
As52 Ru2 As61 C62 99.4(3) . . . . ?
As41 Ru2 As61 C60 -50.5(4) . . . . ?
As51 Ru2 As61 C60 167.3(8) . . . . ?
As42 Ru2 As61 C60 33.7(4) . . . . ?
As62 Ru2 As61 C60 125.0(4) . . . . ?
As52 Ru2 As61 C60 -140.6(4) . . . . ?
As41 Ru2 As62 C69 158.5(6) . . . . ?
As51 Ru2 As62 C69 -58.2(5) . . . . ?
As42 Ru2 As62 C69 -149.2(5) . . . . ?
As61 Ru2 As62 C69 118.6(5) . . . . ?
As52 Ru2 As62 C69 26.3(5) . . . . ?
As41 Ru2 As62 C68 -75.2(6) . . . . ?
As51 Ru2 As62 C68 68.0(4) . . . . ?
As42 Ru2 As62 C68 -23.0(4) . . . . ?
As61 Ru2 As62 C68 -115.2(4) . . . . ?
As52 Ru2 As62 C68 152.5(4) . . . . ?
As41 Ru2 As62 C67 39.1(5) . . . . ?
As51 Ru2 As62 C67 -177.7(3) . . . . ?
As42 Ru2 As62 C67 91.3(3) . . . . ?
As61 Ru2 As62 C67 -0.9(3) . . . . ?
As52 Ru2 As62 C67 -93.2(3) . . . . ?
C61 As61 C62 C67 117.1(8) . . . . ?
C60 As61 C62 C67 -142.2(8) . . . . ?
Ru2 As61 C62 C67 -10.3(8) . . . . ?
C61 As61 C62 C63 -58.2(8) . . . . ?
C60 As61 C62 C63 42.5(9) . . . . ?
Ru2 As61 C62 C63 174.4(7) . . . . ?
C67 C62 C63 C64 -0.3(14) . . . . ?
As61 C62 C63 C64 175.0(7) . . . . ?
C62 C63 C64 C65 0.6(16) . . . . ?
C63 C64 C65 C66 -0.1(16) . . . . ?
C64 C65 C66 C67 -0.6(15) . . . . ?
C65 C66 C67 C62 0.8(14) . . . . ?
C65 C66 C67 As62 174.6(7) . . . . ?
C63 C62 C67 C66 -0.3(13) . . . . ?
As61 C62 C67 C66 -175.8(7) . . . . ?
C63 C62 C67 As62 -174.3(7) . . . . ?
As61 C62 C67 As62 10.2(10) . . . . ?
C69 As62 C67 C66 50.3(9) . . . . ?
C68 As62 C67 C66 -50.3(9) . . . . ?
Ru2 As62 C67 C66 -179.1(7) . . . . ?
C69 As62 C67 C62 -135.8(8) . . . . ?
C68 As62 C67 C62 123.5(8) . . . . ?
Ru2 As62 C67 C62 -5.3(8) . . . . ?
C2D N1D C1D O1D -1(4) . . . . ?
C3D N1D C1D O1D -176(2) . . . . ?
