#------------------------------------------------------------------------------
#$Date: 2018-12-01 01:15:33 +0200 (Sat, 01 Dec 2018) $
#$Revision: 212256 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/26/7122666.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_7122666
loop_
_publ_author_name
'Toda, Tatsuro'
'Suzuki, Satoshi'
'Kuwata, Shigeki'
_publ_section_title
;
 Metallo-supramolecular assembly of protic pincer-type complexes:
 encapsulation of dinitrogen and carbon disulfide into
 multiproton-responsive diruthenium cage
;
_journal_name_full               'Chemical Communications'
_journal_paper_doi               10.1039/C8CC08384C
_journal_year                    2018
_chemical_formula_moiety         'C109 H112 N8 P4 Ru2 S2, 2(C4 H8 O)'
_chemical_formula_sum            'C117 H128 N8 O2 P4 Ru2 S2'
_chemical_formula_weight         2068.51
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_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_update_record
;
2018-10-18 deposited with the CCDC.
2018-11-30 downloaded from the CCDC.
;
_cell_angle_alpha                98.921(4)
_cell_angle_beta                 108.772(10)
_cell_angle_gamma                110.878(8)
_cell_formula_units_Z            1
_cell_length_a                   12.341(9)
_cell_length_b                   13.779(9)
_cell_length_c                   17.827(12)
_cell_measurement_reflns_used    7394
_cell_measurement_temperature    93
_cell_measurement_theta_max      27.46
_cell_measurement_theta_min      3.02
_cell_volume                     2554(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       'CrystalClear (Rigaku Inc., 2008)'
_computing_data_reduction        CrystalClear
_computing_molecular_graphics    'CrystalStructure 4.2.5'
_computing_publication_material  'CrystalStructure 4.2.5 (Rigaku, 2017)'
_computing_structure_refinement  'SHELXL Version 2014/7 (Sheldrick, 2008)'
_computing_structure_solution    'SIR92 (Altomare, et al., 1994)'
_diffrn_ambient_temperature      93
_diffrn_detector_area_resol_mean 7.111
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.958
_diffrn_measurement_device_type  'Rigaku Saturn724'
_diffrn_measurement_method       ω
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0639
_diffrn_reflns_Laue_measured_fraction_full 0.982
_diffrn_reflns_Laue_measured_fraction_max 0.958
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            21006
_diffrn_reflns_point_group_measured_fraction_full 0.982
_diffrn_reflns_point_group_measured_fraction_max 0.958
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.457
_diffrn_reflns_theta_min         3.025
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.455
_exptl_absorpt_correction_T_max  0.964
_exptl_absorpt_correction_T_min  0.640
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'REQAB (Rigaku, 1998)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.345
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1082.00
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: THF/hexane'
_exptl_crystal_size_max          0.090
_exptl_crystal_size_mid          0.090
_exptl_crystal_size_min          0.080
_refine_diff_density_max         1.57
_refine_diff_density_min         -1.05
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.906
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     622
_refine_ls_number_reflns         11175
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0720
_refine_ls_R_factor_gt           0.0477
_refine_ls_shift/su_max          0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.0496P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1182
_refine_ls_wR_factor_ref         0.1276
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6723
_reflns_number_total             11175
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            c8cc08384c2.cif
_cod_data_source_block           compound4-2THF
_cod_database_code               7122666
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 +X,+Y,+Z
2 -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
Ru1 Ru -0.09616(3) 0.37766(2) 0.83127(2) 0.00934(8) Uani 1 1 d . . .
S1 S 0.0212(2) 0.56590(17) 0.91718(14) 0.0120(4) Uani 0.5 1 d . . P
S2 S -0.01731(19) 0.45714(17) 1.05178(14) 0.0105(4) Uani 0.5 1 d . . P
P1 P 0.10400(8) 0.36613(7) 0.86525(6) 0.01016(19) Uani 1 1 d . . .
P2 P 0.29446(8) 0.60995(7) 1.18995(6) 0.01005(19) Uani 1 1 d . . .
O1 O -0.4415(4) -0.2087(3) 0.7167(3) 0.0779(15) Uani 1 1 d . . .
N1 N -0.1714(3) 0.2105(2) 0.93484(18) 0.0137(6) Uani 1 1 d . . .
H1 H -0.1451 0.2605 0.9821 0.016 Uiso 1 1 calc R U .
N2 N -0.1606(3) 0.2340(2) 0.86616(18) 0.0113(6) Uani 1 1 d . . .
N3 N -0.0432(3) 0.5619(2) 0.74319(19) 0.0153(7) Uani 1 1 d . . .
N4 N -0.0741(3) 0.4561(2) 0.74225(19) 0.0120(6) Uani 1 1 d . . .
C1 C -0.2271(4) 0.1014(3) 0.9235(2) 0.0170(8) Uani 1 1 d . . .
C2 C -0.2531(3) 0.0507(3) 0.8425(2) 0.0159(8) Uani 1 1 d . . .
H5 H -0.2906 -0.0256 0.8157 0.019 Uiso 1 1 calc R U .
C3 C -0.2127(3) 0.1350(3) 0.8074(2) 0.0124(7) Uani 1 1 d . . .
C4 C -0.1679(3) 0.2504(3) 0.7254(2) 0.0112(7) Uani 1 1 d . . .
C5 C -0.2159(3) 0.1432(3) 0.7266(2) 0.0126(7) Uani 1 1 d . . .
C6 C -0.2538(3) 0.0566(3) 0.6561(2) 0.0148(8) Uani 1 1 d . . .
H4 H -0.2873 -0.0166 0.6571 0.018 Uiso 1 1 calc R U .
C7 C -0.2419(3) 0.0789(3) 0.5843(2) 0.0164(8) Uani 1 1 d . . .
C8 C -0.1915(3) 0.1881(3) 0.5843(2) 0.0171(8) Uani 1 1 d . . .
H3 H -0.1820 0.2036 0.5361 0.021 Uiso 1 1 calc R U .
C9 C -0.1547(3) 0.2751(3) 0.6547(2) 0.0129(7) Uani 1 1 d . . .
C10 C -0.1012(3) 0.3923(3) 0.6651(2) 0.0134(7) Uani 1 1 d . . .
C11 C -0.0857(3) 0.4616(3) 0.6153(2) 0.0171(8) Uani 1 1 d . . .
H2 H -0.0967 0.4421 0.5589 0.021 Uiso 1 1 calc R U .
C12 C -0.0502(3) 0.5661(3) 0.6667(2) 0.0161(8) Uani 1 1 d . . .
C13 C -0.2510(4) 0.0570(3) 0.9919(3) 0.0236(9) Uani 1 1 d . . .
C14 C -0.1366(7) 0.0458(7) 1.0446(5) 0.109(3) Uani 1 1 d . U .
H18 H -0.1173 -0.0021 1.0097 0.163 Uiso 1 1 calc R U .
H19 H -0.0639 0.1178 1.0711 0.163 Uiso 1 1 calc R U .
H20 H -0.1539 0.0144 1.0875 0.163 Uiso 1 1 calc R U .
C15 C -0.2837(6) 0.1302(4) 1.0435(4) 0.0608(18) Uani 1 1 d . . .
H15 H -0.3586 0.1362 1.0077 0.091 Uiso 1 1 calc R U .
H16 H -0.3018 0.0994 1.0865 0.091 Uiso 1 1 calc R U .
H17 H -0.2118 0.2028 1.0700 0.091 Uiso 1 1 calc R U .
C16 C -0.3639(7) -0.0542(5) 0.9516(4) 0.098(3) Uani 1 1 d . . .
H21 H -0.4387 -0.0468 0.9171 0.146 Uiso 1 1 calc R U .
H22 H -0.3452 -0.1028 0.9168 0.146 Uiso 1 1 calc R U .
H23 H -0.3809 -0.0849 0.9949 0.146 Uiso 1 1 calc R U .
C17 C -0.0240(4) 0.6732(3) 0.6471(3) 0.0223(9) Uani 1 1 d . . .
C18 C 0.1151(4) 0.7554(4) 0.7019(3) 0.0396(12) Uani 1 1 d . . .
H9 H 0.1320 0.8246 0.6891 0.059 Uiso 1 1 calc R U .
H10 H 0.1298 0.7676 0.7606 0.059 Uiso 1 1 calc R U .
H11 H 0.1720 0.7263 0.6907 0.059 Uiso 1 1 calc R U .
C19 C -0.1106(4) 0.7202(4) 0.6670(3) 0.0354(11) Uani 1 1 d . . .
H6 H -0.0938 0.7894 0.6543 0.053 Uiso 1 1 calc R U .
H7 H -0.1996 0.6685 0.6332 0.053 Uiso 1 1 calc R U .
H8 H -0.0936 0.7326 0.7261 0.053 Uiso 1 1 calc R U .
C20 C -0.0470(5) 0.6586(4) 0.5559(3) 0.0348(11) Uani 1 1 d . . .
H12 H -0.0292 0.7291 0.5454 0.052 Uiso 1 1 calc R U .
H13 H 0.0092 0.6297 0.5432 0.052 Uiso 1 1 calc R U .
H14 H -0.1357 0.6074 0.5206 0.052 Uiso 1 1 calc R U .
C21 C -0.2819(4) -0.0167(3) 0.5076(2) 0.0210(9) Uani 1 1 d . . .
C22 C -0.4230(4) -0.0940(4) 0.4747(3) 0.0499(15) Uani 1 1 d . . .
H24 H -0.4413 -0.1197 0.5195 0.075 Uiso 1 1 calc R U .
H25 H -0.4739 -0.0552 0.4546 0.075 Uiso 1 1 calc R U .
H26 H -0.4444 -0.1565 0.4288 0.075 Uiso 1 1 calc R U .
C23 C -0.2568(6) 0.0214(4) 0.4372(3) 0.0506(15) Uani 1 1 d . . .
H30 H -0.1667 0.0711 0.4571 0.076 Uiso 1 1 calc R U .
H31 H -0.2790 -0.0417 0.3916 0.076 Uiso 1 1 calc R U .
H32 H -0.3085 0.0596 0.4173 0.076 Uiso 1 1 calc R U .
C24 C -0.2057(5) -0.0826(4) 0.5325(3) 0.0447(14) Uani 1 1 d . . .
H27 H -0.2198 -0.1086 0.5781 0.067 Uiso 1 1 calc R U .
H28 H -0.2336 -0.1451 0.4846 0.067 Uiso 1 1 calc R U .
H29 H -0.1150 -0.0359 0.5505 0.067 Uiso 1 1 calc R U .
C25 C -0.0236(7) 0.4708(6) 0.9610(4) 0.0108(14) Uani 0.5 1 d . . P
C26 C 0.1061(3) 0.2483(3) 0.8013(2) 0.0128(7) Uani 1 1 d . . .
C27 C 0.0510(4) 0.1423(3) 0.8061(2) 0.0192(8) Uani 1 1 d . . .
H52 H 0.0119 0.1302 0.8439 0.023 Uiso 1 1 calc R U .
C28 C 0.0526(4) 0.0546(3) 0.7565(3) 0.0244(9) Uani 1 1 d . . .
H53 H 0.0162 -0.0165 0.7612 0.029 Uiso 1 1 calc R U .
C29 C 0.1074(4) 0.0717(3) 0.7008(3) 0.0266(10) Uani 1 1 d . . .
H54 H 0.1102 0.0125 0.6675 0.032 Uiso 1 1 calc R U .
C30 C 0.1584(4) 0.1746(4) 0.6928(3) 0.0292(10) Uani 1 1 d . . .
H55 H 0.1941 0.1853 0.6531 0.035 Uiso 1 1 calc R U .
C31 C 0.1577(4) 0.2625(3) 0.7425(3) 0.0247(9) Uani 1 1 d . . .
H56 H 0.1926 0.3328 0.7364 0.030 Uiso 1 1 calc R U .
C32 C 0.2425(3) 0.4801(3) 0.8672(2) 0.0144(8) Uani 1 1 d . . .
C33 C 0.2336(4) 0.5664(3) 0.8390(3) 0.0263(10) Uani 1 1 d . . .
H47 H 0.1539 0.5692 0.8183 0.032 Uiso 1 1 calc R U .
C34 C 0.3417(4) 0.6496(3) 0.8408(3) 0.0313(11) Uani 1 1 d . . .
H48 H 0.3346 0.7084 0.8214 0.038 Uiso 1 1 calc R U .
C35 C 0.4577(4) 0.6470(3) 0.8703(3) 0.0248(9) Uani 1 1 d . . .
H49 H 0.5303 0.7031 0.8706 0.030 Uiso 1 1 calc R U .
C36 C 0.4677(4) 0.5615(3) 0.8998(2) 0.0206(9) Uani 1 1 d . . .
H50 H 0.5478 0.5596 0.9208 0.025 Uiso 1 1 calc R U .
C37 C 0.3614(3) 0.4787(3) 0.8987(2) 0.0184(8) Uani 1 1 d . . .
H51 H 0.3694 0.4210 0.9194 0.022 Uiso 1 1 calc R U .
C38 C 0.1701(3) 0.3656(3) 0.9746(2) 0.0129(7) Uani 1 1 d . . .
C39 C 0.2241(3) 0.4684(3) 1.0342(2) 0.0113(7) Uani 1 1 d . . .
H43 H 0.2357 0.5312 1.0161 0.014 Uiso 1 1 calc R U .
C40 C 0.2610(3) 0.4808(3) 1.1189(2) 0.0110(7) Uani 1 1 d . . .
C41 C 0.2471(3) 0.3880(3) 1.1451(2) 0.0154(8) Uani 1 1 d . . .
H46 H 0.2699 0.3944 1.2025 0.018 Uiso 1 1 calc R U .
C42 C 0.2005(4) 0.2873(3) 1.0880(3) 0.0234(9) Uani 1 1 d . . .
H45 H 0.1956 0.2255 1.1067 0.028 Uiso 1 1 calc R U .
C43 C 0.1607(4) 0.2755(3) 1.0033(2) 0.0228(9) Uani 1 1 d . . .
H44 H 0.1267 0.2054 0.9646 0.027 Uiso 1 1 calc R U .
C44 C 0.4109(3) 0.7176(3) 1.1688(2) 0.0128(7) Uani 1 1 d . . .
C45 C 0.4571(3) 0.8251(3) 1.2193(2) 0.0154(8) Uani 1 1 d . . .
H38 H 0.4229 0.8389 1.2583 0.018 Uiso 1 1 calc R U .
C46 C 0.5522(4) 0.9115(3) 1.2127(2) 0.0209(9) Uani 1 1 d . . .
H39 H 0.5818 0.9836 1.2470 0.025 Uiso 1 1 calc R U .
C47 C 0.6036(4) 0.8928(3) 1.1566(3) 0.0227(9) Uani 1 1 d . . .
H40 H 0.6679 0.9518 1.1518 0.027 Uiso 1 1 calc R U .
C48 C 0.5600(4) 0.7868(3) 1.1072(3) 0.0220(9) Uani 1 1 d . . .
H41 H 0.5962 0.7733 1.0693 0.026 Uiso 1 1 calc R U .
C49 C 0.4640(3) 0.7004(3) 1.1126(2) 0.0179(8) Uani 1 1 d . . .
H42 H 0.4341 0.6287 1.0776 0.021 Uiso 1 1 calc R U .
C50 C 0.4042(3) 0.6089(3) 1.2884(2) 0.0142(8) Uani 1 1 d . . .
C51 C 0.3685(4) 0.5918(3) 1.3530(2) 0.0225(9) Uani 1 1 d . . .
H33 H 0.2855 0.5809 1.3474 0.027 Uiso 1 1 calc R U .
C52 C 0.4534(4) 0.5904(4) 1.4265(3) 0.0270(10) Uani 1 1 d . . .
H34 H 0.4285 0.5801 1.4709 0.032 Uiso 1 1 calc R U .
C53 C 0.5739(4) 0.6042(3) 1.4346(3) 0.0239(9) Uani 1 1 d . . .
H35 H 0.6322 0.6041 1.4847 0.029 Uiso 1 1 calc R U .
C54 C 0.6086(4) 0.6179(4) 1.3694(3) 0.0262(10) Uani 1 1 d . . .
H36 H 0.6903 0.6253 1.3743 0.031 Uiso 1 1 calc R U .
C55 C 0.5259(4) 0.6210(3) 1.2973(3) 0.0226(9) Uani 1 1 d . . .
H37 H 0.5516 0.6315 1.2532 0.027 Uiso 1 1 calc R U .
C56 C -0.4852(5) -0.3213(4) 0.6748(4) 0.0571(17) Uani 1 1 d . . .
H57 H -0.4679 -0.3612 0.7154 0.069 Uiso 1 1 calc R U .
H58 H -0.4423 -0.3296 0.6376 0.069 Uiso 1 1 calc R U .
C57 C -0.6296(5) -0.3652(4) 0.6240(3) 0.0446(13) Uani 1 1 d . . .
H59 H -0.6606 -0.4254 0.5729 0.053 Uiso 1 1 calc R U .
H60 H -0.6781 -0.3905 0.6575 0.053 Uiso 1 1 calc R U .
C58 C -0.6373(5) -0.2651(4) 0.6043(3) 0.0406(12) Uani 1 1 d . . .
H61 H -0.6179 -0.2559 0.5554 0.049 Uiso 1 1 calc R U .
H62 H -0.7224 -0.2681 0.5936 0.049 Uiso 1 1 calc R U .
C59 C -0.5373(5) -0.1752(4) 0.6821(4) 0.0463(14) Uani 1 1 d . . .
H63 H -0.5013 -0.1068 0.6688 0.056 Uiso 1 1 calc R U .
H64 H -0.5745 -0.1621 0.7220 0.056 Uiso 1 1 calc R U .
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 for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
H H 0.0000 0.0000
;
International Tables for Crystallography
(Vol. C, Table 6.1.1.4)
;
N N 0.0061 0.0033
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
P P 0.1023 0.0942
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
Ru Ru -1.2594 0.8363
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
S S 0.1246 0.1234
;
International Tables for Crystallography
(Vol. C, Tables 4.2.6.8 and 6.1.1.4)
;
O O 0.0106 0.0060
;
International Tables for Crystallography
(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
C4 Ru1 N4 76.97(14) . .
C4 Ru1 N2 74.53(14) . .
N4 Ru1 N2 151.43(12) . .
C4 Ru1 C25 161.7(2) . .
N4 Ru1 C25 120.8(2) . .
N2 Ru1 C25 87.8(2) . .
C4 Ru1 S1 155.37(12) . .
N4 Ru1 S1 79.19(11) . .
N2 Ru1 S1 129.35(11) . .
C25 Ru1 S1 41.6(2) . .
C4 Ru1 P1 87.30(9) . .
N4 Ru1 P1 93.76(8) . .
N2 Ru1 P1 86.82(8) . .
C25 Ru1 P1 87.23(18) . .
S1 Ru1 P1 88.17(6) . .
C4 Ru1 S2 169.99(11) . 2_567
N4 Ru1 S2 95.48(11) . 2_567
N2 Ru1 S2 113.05(11) . 2_567
C25 Ru1 S2 25.4(2) . 2_567
S1 Ru1 S2 16.29(5) . 2_567
P1 Ru1 S2 86.64(6) . 2_567
C4 Ru1 P2 96.25(9) . 2_567
N4 Ru1 P2 90.73(8) . 2_567
N2 Ru1 P2 90.48(8) . 2_567
C25 Ru1 P2 88.24(18) . 2_567
S1 Ru1 P2 90.13(6) . 2_567
P1 Ru1 P2 174.81(3) . 2_567
S2 Ru1 P2 90.35(6) 2_567 2_567
S2 S1 C25 21.4(3) 2_567 .
S2 S1 C25 13.2(3) 2_567 2_567
C25 S1 C25 34.0(4) . 2_567
S2 S1 Ru1 82.4(3) 2_567 .
C25 S1 Ru1 61.3(2) . .
C25 S1 Ru1 95.3(2) 2_567 .
S1 S2 C25 144.7(5) 2_567 2_567
S1 S2 C25 161.3(4) 2_567 .
C25 S2 C25 53.1(6) 2_567 .
S1 S2 S2 174.7(4) 2_567 2_567
C25 S2 S2 32.9(4) 2_567 2_567
C25 S2 S2 20.2(3) . 2_567
S1 S2 Ru1 81.3(3) 2_567 2_567
C25 S2 Ru1 63.8(4) 2_567 2_567
C25 S2 Ru1 116.9(3) . 2_567
S2 S2 Ru1 96.72(13) 2_567 2_567
C26 P1 C32 101.12(17) . .
C26 P1 C38 106.00(16) . .
C32 P1 C38 99.34(17) . .
C26 P1 Ru1 117.88(11) . .
C32 P1 Ru1 119.48(12) . .
C38 P1 Ru1 110.73(11) . .
C40 P2 C50 100.73(16) . .
C40 P2 C44 105.40(17) . .
C50 P2 C44 98.37(17) . .
C40 P2 Ru1 109.12(11) . 2_567
C50 P2 Ru1 125.14(12) . 2_567
C44 P2 Ru1 115.68(12) . 2_567
C59 O1 C56 109.3(4) . .
N2 N1 C1 113.0(3) . .
N2 N1 H1 123.5 . .
C1 N1 H1 123.5 . .
N1 N2 C3 105.1(3) . .
N1 N2 Ru1 136.3(2) . .
C3 N2 Ru1 118.6(2) . .
C12 N3 N4 107.1(3) . .
N3 N4 C10 110.4(3) . .
N3 N4 Ru1 132.2(2) . .
C10 N4 Ru1 117.3(2) . .
N1 C1 C2 106.2(3) . .
N1 C1 C13 121.8(3) . .
C2 C1 C13 132.0(4) . .
C1 C2 C3 106.3(3) . .
C1 C2 H5 126.9 . .
C3 C2 H5 126.9 . .
N2 C3 C2 109.5(3) . .
N2 C3 C5 113.4(3) . .
C2 C3 C5 137.0(3) . .
C5 C4 C9 121.0(3) . .
C5 C4 Ru1 120.8(3) . .
C9 C4 Ru1 117.9(3) . .
C4 C5 C6 120.6(3) . .
C4 C5 C3 112.6(3) . .
C6 C5 C3 126.6(3) . .
C7 C6 C5 119.7(3) . .
C7 C6 H4 120.2 . .
C5 C6 H4 120.2 . .
C6 C7 C8 119.2(3) . .
C6 C7 C21 119.3(3) . .
C8 C7 C21 121.6(3) . .
C7 C8 C9 121.3(3) . .
C7 C8 H3 119.4 . .
C9 C8 H3 119.4 . .
C4 C9 C8 118.3(3) . .
C4 C9 C10 113.4(3) . .
C8 C9 C10 128.2(3) . .
N4 C10 C11 106.9(3) . .
N4 C10 C9 113.8(3) . .
C11 C10 C9 138.4(3) . .
C10 C11 C12 105.4(3) . .
C10 C11 H2 127.3 . .
C12 C11 H2 127.3 . .
N3 C12 C11 110.1(3) . .
N3 C12 C17 119.9(3) . .
C11 C12 C17 129.9(3) . .
C14 C13 C15 111.0(5) . .
C14 C13 C1 109.9(4) . .
C15 C13 C1 110.2(3) . .
C14 C13 C16 109.5(5) . .
C15 C13 C16 108.2(5) . .
C1 C13 C16 108.0(4) . .
C13 C14 H18 109.5 . .
C13 C14 H19 109.5 . .
H18 C14 H19 109.5 . .
C13 C14 H20 109.5 . .
H18 C14 H20 109.5 . .
H19 C14 H20 109.5 . .
C13 C15 H15 109.5 . .
C13 C15 H16 109.5 . .
H15 C15 H16 109.5 . .
C13 C15 H17 109.5 . .
H15 C15 H17 109.5 . .
H16 C15 H17 109.5 . .
C13 C16 H21 109.5 . .
C13 C16 H22 109.5 . .
H21 C16 H22 109.5 . .
C13 C16 H23 109.5 . .
H21 C16 H23 109.5 . .
H22 C16 H23 109.5 . .
C12 C17 C20 111.6(3) . .
C12 C17 C19 109.3(3) . .
C20 C17 C19 109.2(3) . .
C12 C17 C18 109.5(3) . .
C20 C17 C18 108.9(4) . .
C19 C17 C18 108.2(4) . .
C17 C18 H9 109.5 . .
C17 C18 H10 109.5 . .
H9 C18 H10 109.5 . .
C17 C18 H11 109.5 . .
H9 C18 H11 109.5 . .
H10 C18 H11 109.5 . .
C17 C19 H6 109.5 . .
C17 C19 H7 109.5 . .
H6 C19 H7 109.5 . .
C17 C19 H8 109.5 . .
H6 C19 H8 109.5 . .
H7 C19 H8 109.5 . .
C17 C20 H12 109.5 . .
C17 C20 H13 109.5 . .
H12 C20 H13 109.5 . .
C17 C20 H14 109.5 . .
H12 C20 H14 109.5 . .
H13 C20 H14 109.5 . .
C23 C21 C22 108.2(4) . .
C23 C21 C24 107.4(4) . .
C22 C21 C24 107.9(4) . .
C23 C21 C7 112.6(4) . .
C22 C21 C7 111.2(3) . .
C24 C21 C7 109.4(3) . .
C21 C22 H24 109.5 . .
C21 C22 H25 109.5 . .
H24 C22 H25 109.5 . .
C21 C22 H26 109.5 . .
H24 C22 H26 109.5 . .
H25 C22 H26 109.5 . .
C21 C23 H30 109.5 . .
C21 C23 H31 109.5 . .
H30 C23 H31 109.5 . .
C21 C23 H32 109.5 . .
H30 C23 H32 109.5 . .
H31 C23 H32 109.5 . .
C21 C24 H27 109.5 . .
C21 C24 H28 109.5 . .
H27 C24 H28 109.5 . .
C21 C24 H29 109.5 . .
H27 C24 H29 109.5 . .
H28 C24 H29 109.5 . .
S2 C25 C25 87.6(8) 2_567 2_567
S2 C25 S2 126.9(6) 2_567 .
C25 C25 S2 39.3(5) 2_567 .
S2 C25 S1 13.9(2) 2_567 .
C25 C25 S1 101.4(7) 2_567 .
S2 C25 S1 140.7(5) . .
S2 C25 Ru1 90.8(4) 2_567 .
C25 C25 Ru1 178.0(9) 2_567 .
S2 C25 Ru1 142.3(4) . .
S1 C25 Ru1 77.1(3) . .
S2 C25 S1 132.2(5) 2_567 2_567
C25 C25 S1 44.6(5) 2_567 2_567
S2 C25 S1 5.48(12) . 2_567
S1 C25 S1 146.0(4) . 2_567
Ru1 C25 S1 136.9(4) . 2_567
C31 C26 C27 117.8(3) . .
C31 C26 P1 119.6(3) . .
C27 C26 P1 122.4(3) . .
C28 C27 C26 121.4(4) . .
C28 C27 H52 119.3 . .
C26 C27 H52 119.3 . .
C29 C28 C27 119.4(4) . .
C29 C28 H53 120.3 . .
C27 C28 H53 120.3 . .
C28 C29 C30 120.4(4) . .
C28 C29 H54 119.8 . .
C30 C29 H54 119.8 . .
C29 C30 C31 120.3(4) . .
C29 C30 H55 119.8 . .
C31 C30 H55 119.8 . .
C30 C31 C26 120.6(4) . .
C30 C31 H56 119.7 . .
C26 C31 H56 119.7 . .
C33 C32 C37 118.8(3) . .
C33 C32 P1 122.9(3) . .
C37 C32 P1 118.2(3) . .
C32 C33 C34 120.3(4) . .
C32 C33 H47 119.9 . .
C34 C33 H47 119.9 . .
C35 C34 C33 120.8(4) . .
C35 C34 H48 119.6 . .
C33 C34 H48 119.6 . .
C34 C35 C36 119.3(4) . .
C34 C35 H49 120.4 . .
C36 C35 H49 120.4 . .
C37 C36 C35 120.6(3) . .
C37 C36 H50 119.7 . .
C35 C36 H50 119.7 . .
C36 C37 C32 120.3(4) . .
C36 C37 H51 119.9 . .
C32 C37 H51 119.9 . .
C43 C38 C39 117.8(3) . .
C43 C38 P1 127.7(3) . .
C39 C38 P1 114.2(3) . .
C40 C39 C38 122.0(3) . .
C40 C39 H43 119.0 . .
C38 C39 H43 119.0 . .
C39 C40 C41 118.5(3) . .
C39 C40 P2 119.3(3) . .
C41 C40 P2 121.0(3) . .
C42 C41 C40 120.3(3) . .
C42 C41 H46 119.8 . .
C40 C41 H46 119.8 . .
C41 C42 C43 120.6(4) . .
C41 C42 H45 119.7 . .
C43 C42 H45 119.7 . .
C42 C43 C38 120.6(4) . .
C42 C43 H44 119.7 . .
C38 C43 H44 119.7 . .
C49 C44 C45 117.9(3) . .
C49 C44 P2 125.6(3) . .
C45 C44 P2 116.3(3) . .
C46 C45 C44 120.9(3) . .
C46 C45 H38 119.5 . .
C44 C45 H38 119.5 . .
C47 C46 C45 120.3(4) . .
C47 C46 H39 119.8 . .
C45 C46 H39 119.8 . .
C46 C47 C48 119.3(4) . .
C46 C47 H40 120.3 . .
C48 C47 H40 120.3 . .
C47 C48 C49 120.6(4) . .
C47 C48 H41 119.7 . .
C49 C48 H41 119.7 . .
C48 C49 C44 120.9(4) . .
C48 C49 H42 119.5 . .
C44 C49 H42 119.5 . .
C51 C50 C55 118.4(3) . .
C51 C50 P2 122.0(3) . .
C55 C50 P2 119.5(3) . .
C50 C51 C52 120.7(4) . .
C50 C51 H33 119.7 . .
C52 C51 H33 119.7 . .
C53 C52 C51 120.0(4) . .
C53 C52 H34 120.0 . .
C51 C52 H34 120.0 . .
C54 C53 C52 119.6(4) . .
C54 C53 H35 120.2 . .
C52 C53 H35 120.2 . .
C53 C54 C55 120.6(4) . .
C53 C54 H36 119.7 . .
C55 C54 H36 119.7 . .
C54 C55 C50 120.7(4) . .
C54 C55 H37 119.7 . .
C50 C55 H37 119.7 . .
O1 C56 C57 105.8(4) . .
O1 C56 H57 110.6 . .
C57 C56 H57 110.6 . .
O1 C56 H58 110.6 . .
C57 C56 H58 110.6 . .
H57 C56 H58 108.7 . .
C58 C57 C56 100.9(4) . .
C58 C57 H59 111.6 . .
C56 C57 H59 111.6 . .
C58 C57 H60 111.6 . .
C56 C57 H60 111.6 . .
H59 C57 H60 109.4 . .
C59 C58 C57 102.6(4) . .
C59 C58 H61 111.2 . .
C57 C58 H61 111.2 . .
C59 C58 H62 111.2 . .
C57 C58 H62 111.2 . .
H61 C58 H62 109.2 . .
O1 C59 C58 107.3(4) . .
O1 C59 H63 110.3 . .
C58 C59 H63 110.3 . .
O1 C59 H64 110.3 . .
C58 C59 H64 110.3 . .
H63 C59 H64 108.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C4 2.052(4) .
Ru1 N4 2.088(3) .
Ru1 N2 2.125(3) .
Ru1 C25 2.174(7) .
Ru1 S1 2.415(3) .
Ru1 P1 2.4167(19) .
Ru1 S2 2.422(2) 2_567
Ru1 P2 2.426(2) 2_567
S1 S2 0.686(2) 2_567
S1 C25 1.647(8) .
S1 C25 2.298(8) 2_567
S2 S1 0.686(2) 2_567
S2 C25 1.039(8) 2_567
S2 C25 1.638(8) .
S2 S2 2.411(5) 2_567
S2 Ru1 2.422(2) 2_567
P1 C26 1.846(4) .
P1 C32 1.849(4) .
P1 C38 1.858(4) .
P2 C40 1.840(4) .
P2 C50 1.846(4) .
P2 C44 1.846(4) .
P2 Ru1 2.426(2) 2_567
O1 C59 1.415(6) .
O1 C56 1.428(6) .
N1 N2 1.348(4) .
N1 C1 1.361(5) .
N1 H1 0.8800 .
N2 C3 1.368(4) .
N3 C12 1.350(5) .
N3 N4 1.365(4) .
N4 C10 1.377(4) .
C1 C2 1.380(5) .
C1 C13 1.512(5) .
C2 C3 1.415(5) .
C2 H5 0.9500 .
C3 C5 1.451(5) .
C4 C5 1.388(5) .
C4 C9 1.399(5) .
C5 C6 1.408(5) .
C6 C7 1.401(5) .
C6 H4 0.9500 .
C7 C8 1.409(5) .
C7 C21 1.547(5) .
C8 C9 1.413(5) .
C8 H3 0.9500 .
C9 C10 1.466(5) .
C10 C11 1.406(5) .
C11 C12 1.411(5) .
C11 H2 0.9500 .
C12 C17 1.515(5) .
C13 C14 1.498(7) .
C13 C15 1.507(6) .
C13 C16 1.516(7) .
C14 H18 0.9800 .
C14 H19 0.9800 .
C14 H20 0.9800 .
C15 H15 0.9800 .
C15 H16 0.9800 .
C15 H17 0.9800 .
C16 H21 0.9800 .
C16 H22 0.9800 .
C16 H23 0.9800 .
C17 C20 1.524(6) .
C17 C19 1.533(6) .
C17 C18 1.542(6) .
C18 H9 0.9800 .
C18 H10 0.9800 .
C18 H11 0.9800 .
C19 H6 0.9800 .
C19 H7 0.9800 .
C19 H8 0.9800 .
C20 H12 0.9800 .
C20 H13 0.9800 .
C20 H14 0.9800 .
C21 C23 1.513(6) .
C21 C22 1.529(6) .
C21 C24 1.539(5) .
C22 H24 0.9800 .
C22 H25 0.9800 .
C22 H26 0.9800 .
C23 H30 0.9800 .
C23 H31 0.9800 .
C23 H32 0.9800 .
C24 H27 0.9800 .
C24 H28 0.9800 .
C24 H29 0.9800 .
C25 S2 1.039(8) 2_567
C25 C25 1.311(13) 2_567
C25 S1 2.298(8) 2_567
C26 C31 1.395(5) .
C26 C27 1.403(5) .
C27 C28 1.392(5) .
C27 H52 0.9500 .
C28 C29 1.376(6) .
C28 H53 0.9500 .
C29 C30 1.382(6) .
C29 H54 0.9500 .
C30 C31 1.390(5) .
C30 H55 0.9500 .
C31 H56 0.9500 .
C32 C33 1.386(5) .
C32 C37 1.400(5) .
C33 C34 1.401(6) .
C33 H47 0.9500 .
C34 C35 1.372(5) .
C34 H48 0.9500 .
C35 C36 1.390(5) .
C35 H49 0.9500 .
C36 C37 1.390(5) .
C36 H50 0.9500 .
C37 H51 0.9500 .
C38 C43 1.396(5) .
C38 C39 1.408(5) .
C39 C40 1.392(5) .
C39 H43 0.9500 .
C40 C41 1.402(5) .
C41 C42 1.382(5) .
C41 H46 0.9500 .
C42 C43 1.392(5) .
C42 H45 0.9500 .
C43 H44 0.9500 .
C44 C49 1.396(5) .
C44 C45 1.408(5) .
C45 C46 1.394(5) .
C45 H38 0.9500 .
C46 C47 1.384(5) .
C46 H39 0.9500 .
C47 C48 1.391(5) .
C47 H40 0.9500 .
C48 C49 1.391(5) .
C48 H41 0.9500 .
C49 H42 0.9500 .
C50 C51 1.384(5) .
C50 C55 1.403(5) .
C51 C52 1.397(5) .
C51 H33 0.9500 .
C52 C53 1.386(6) .
C52 H34 0.9500 .
C53 C54 1.378(6) .
C53 H35 0.9500 .
C54 C55 1.379(5) .
C54 H36 0.9500 .
C55 H37 0.9500 .
C56 C57 1.545(7) .
C56 H57 0.9900 .
C56 H58 0.9900 .
C57 C58 1.503(6) .
C57 H59 0.9900 .
C57 H60 0.9900 .
C58 C59 1.502(7) .
C58 H61 0.9900 .
C58 H62 0.9900 .
C59 H63 0.9900 .
C59 H64 0.9900 .
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DA
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_angle_DHA
_geom_hbond_publ_flag
N1 H1 S1 2_567 3.186(4) 0.880 2.362 156.0 no
N1 H1 S2 . 3.187(4) 0.880 2.454 141.1 no
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_4
C1 N1 N2 C3 0.3(4) . .
C1 N1 N2 Ru1 176.3(2) . .
C12 N3 N4 C10 0.0(4) . .
C12 N3 N4 Ru1 -176.2(2) . .
N2 N1 C1 C2 0.6(4) . .
N2 N1 C1 C13 -178.7(3) . .
N1 C1 C2 C3 -1.3(4) . .
C13 C1 C2 C3 177.9(4) . .
N1 N2 C3 C2 -1.2(4) . .
Ru1 N2 C3 C2 -178.0(2) . .
N1 N2 C3 C5 177.1(3) . .
Ru1 N2 C3 C5 0.2(4) . .
C1 C2 C3 N2 1.6(4) . .
C1 C2 C3 C5 -176.0(4) . .
C9 C4 C5 C6 -0.7(5) . .
Ru1 C4 C5 C6 -173.9(2) . .
C9 C4 C5 C3 175.4(3) . .
Ru1 C4 C5 C3 2.2(4) . .
N2 C3 C5 C4 -1.4(4) . .
C2 C3 C5 C4 176.1(4) . .
N2 C3 C5 C6 174.4(3) . .
C2 C3 C5 C6 -8.1(7) . .
C4 C5 C6 C7 0.6(5) . .
C3 C5 C6 C7 -174.9(3) . .
C5 C6 C7 C8 0.2(5) . .
C5 C6 C7 C21 179.1(3) . .
C6 C7 C8 C9 -1.0(5) . .
C21 C7 C8 C9 -179.8(3) . .
C5 C4 C9 C8 -0.1(5) . .
Ru1 C4 C9 C8 173.4(2) . .
C5 C4 C9 C10 -179.3(3) . .
Ru1 C4 C9 C10 -5.9(4) . .
C7 C8 C9 C4 0.9(5) . .
C7 C8 C9 C10 -180.0(3) . .
N3 N4 C10 C11 0.4(4) . .
Ru1 N4 C10 C11 177.2(2) . .
N3 N4 C10 C9 -170.9(3) . .
Ru1 N4 C10 C9 5.9(4) . .
C4 C9 C10 N4 -0.1(4) . .
C8 C9 C10 N4 -179.3(3) . .
C4 C9 C10 C11 -167.5(4) . .
C8 C9 C10 C11 13.3(7) . .
N4 C10 C11 C12 -0.6(4) . .
C9 C10 C11 C12 167.3(4) . .
N4 N3 C12 C11 -0.3(4) . .
N4 N3 C12 C17 178.5(3) . .
C10 C11 C12 N3 0.6(4) . .
C10 C11 C12 C17 -178.1(3) . .
N1 C1 C13 C14 -87.8(6) . .
C2 C1 C13 C14 93.1(6) . .
N1 C1 C13 C15 34.8(5) . .
C2 C1 C13 C15 -144.3(5) . .
N1 C1 C13 C16 152.8(5) . .
C2 C1 C13 C16 -26.3(6) . .
N3 C12 C17 C20 -175.6(3) . .
C11 C12 C17 C20 3.0(6) . .
N3 C12 C17 C19 -54.7(5) . .
C11 C12 C17 C19 123.9(4) . .
N3 C12 C17 C18 63.7(5) . .
C11 C12 C17 C18 -117.7(4) . .
C6 C7 C21 C23 -177.1(4) . .
C8 C7 C21 C23 1.7(5) . .
C6 C7 C21 C22 61.3(5) . .
C8 C7 C21 C22 -119.9(4) . .
C6 C7 C21 C24 -57.8(5) . .
C8 C7 C21 C24 121.0(4) . .
S1 S2 C25 S2 -164.6(11) 2_567 2_567
C25 S2 C25 S2 -0.002(4) 2_567 2_567
Ru1 S2 C25 S2 1.1(7) 2_567 2_567
S1 S2 C25 C25 -164.6(11) 2_567 2_567
S2 S2 C25 C25 0.002(5) 2_567 2_567
Ru1 S2 C25 C25 1.1(8) 2_567 2_567
S1 S2 C25 S1 -167.8(9) 2_567 .
C25 S2 C25 S1 -3.2(2) 2_567 .
S2 S2 C25 S1 -3.2(2) 2_567 .
Ru1 S2 C25 S1 -2.1(8) 2_567 .
S1 S2 C25 Ru1 13.6(17) 2_567 .
C25 S2 C25 Ru1 178.2(12) 2_567 .
S2 S2 C25 Ru1 178.2(12) 2_567 .
Ru1 S2 C25 Ru1 179.3(5) 2_567 .
C25 S2 C25 S1 164.6(11) 2_567 2_567
S2 S2 C25 S1 164.6(11) 2_567 2_567
Ru1 S2 C25 S1 165.7(14) 2_567 2_567
C25 S1 C25 S2 -8.6(6) 2_567 2_567
Ru1 S1 C25 S2 170.2(10) . 2_567
S2 S1 C25 C25 8.6(6) 2_567 2_567
Ru1 S1 C25 C25 178.8(8) . 2_567
S2 S1 C25 S2 10.7(8) 2_567 .
C25 S1 C25 S2 2.07(15) 2_567 .
Ru1 S1 C25 S2 -179.1(8) . .
S2 S1 C25 Ru1 -170.2(10) 2_567 .
C25 S1 C25 Ru1 -178.8(8) 2_567 .
S2 S1 C25 S1 8.6(6) 2_567 2_567
C25 S1 C25 S1 -0.001(2) 2_567 2_567
Ru1 S1 C25 S1 178.8(8) . 2_567
C32 P1 C26 C31 -27.5(3) . .
C38 P1 C26 C31 -130.7(3) . .
Ru1 P1 C26 C31 104.7(3) . .
C32 P1 C26 C27 156.1(3) . .
C38 P1 C26 C27 52.9(3) . .
Ru1 P1 C26 C27 -71.7(3) . .
C31 C26 C27 C28 2.8(5) . .
P1 C26 C27 C28 179.3(3) . .
C26 C27 C28 C29 -1.1(6) . .
C27 C28 C29 C30 -1.2(6) . .
C28 C29 C30 C31 1.6(6) . .
C29 C30 C31 C26 0.2(6) . .
C27 C26 C31 C30 -2.4(6) . .
P1 C26 C31 C30 -179.0(3) . .
C26 P1 C32 C33 122.0(4) . .
C38 P1 C32 C33 -129.5(4) . .
Ru1 P1 C32 C33 -9.1(4) . .
C26 P1 C32 C37 -58.0(3) . .
C38 P1 C32 C37 50.5(3) . .
Ru1 P1 C32 C37 170.8(2) . .
C37 C32 C33 C34 1.1(6) . .
P1 C32 C33 C34 -179.0(3) . .
C32 C33 C34 C35 0.1(7) . .
C33 C34 C35 C36 -1.0(7) . .
C34 C35 C36 C37 0.7(6) . .
C35 C36 C37 C32 0.5(6) . .
C33 C32 C37 C36 -1.4(6) . .
P1 C32 C37 C36 178.7(3) . .
C26 P1 C38 C43 -31.5(4) . .
C32 P1 C38 C43 -136.0(3) . .
Ru1 P1 C38 C43 97.4(3) . .
C26 P1 C38 C39 155.4(2) . .
C32 P1 C38 C39 50.9(3) . .
Ru1 P1 C38 C39 -75.7(3) . .
C43 C38 C39 C40 -3.5(5) . .
P1 C38 C39 C40 170.3(3) . .
C38 C39 C40 C41 2.0(5) . .
C38 C39 C40 P2 -165.4(3) . .
C50 P2 C40 C39 -154.8(3) . .
C44 P2 C40 C39 -52.9(3) . .
Ru1 P2 C40 C39 71.9(3) 2_567 .
C50 P2 C40 C41 38.2(3) . .
C44 P2 C40 C41 140.0(3) . .
Ru1 P2 C40 C41 -95.1(3) 2_567 .
C39 C40 C41 C42 1.5(5) . .
P2 C40 C41 C42 168.7(3) . .
C40 C41 C42 C43 -3.3(6) . .
C41 C42 C43 C38 1.7(6) . .
C39 C38 C43 C42 1.7(5) . .
P1 C38 C43 C42 -171.2(3) . .
C40 P2 C44 C49 -2.4(4) . .
C50 P2 C44 C49 101.2(3) . .
Ru1 P2 C44 C49 -123.0(3) 2_567 .
C40 P2 C44 C45 -176.8(3) . .
C50 P2 C44 C45 -73.2(3) . .
Ru1 P2 C44 C45 62.6(3) 2_567 .
C49 C44 C45 C46 0.4(5) . .
P2 C44 C45 C46 175.2(3) . .
C44 C45 C46 C47 -0.4(6) . .
C45 C46 C47 C48 -0.5(6) . .
C46 C47 C48 C49 1.3(6) . .
C47 C48 C49 C44 -1.3(6) . .
C45 C44 C49 C48 0.5(5) . .
P2 C44 C49 C48 -173.8(3) . .
C40 P2 C50 C51 -108.6(3) . .
C44 P2 C50 C51 143.9(3) . .
Ru1 P2 C50 C51 14.1(4) 2_567 .
C40 P2 C50 C55 68.6(3) . .
C44 P2 C50 C55 -38.9(3) . .
Ru1 P2 C50 C55 -168.7(2) 2_567 .
C55 C50 C51 C52 2.1(6) . .
P2 C50 C51 C52 179.4(3) . .
C50 C51 C52 C53 -1.2(6) . .
C51 C52 C53 C54 -0.7(6) . .
C52 C53 C54 C55 1.8(7) . .
C53 C54 C55 C50 -0.8(6) . .
C51 C50 C55 C54 -1.1(6) . .
P2 C50 C55 C54 -178.5(3) . .
C59 O1 C56 C57 -13.2(7) . .
O1 C56 C57 C58 31.3(6) . .
C56 C57 C58 C59 -36.5(5) . .
C56 O1 C59 C58 -10.7(7) . .
C57 C58 C59 O1 30.6(6) . .
