#------------------------------------------------------------------------------
#$Date: 2016-05-05 09:20:00 +0300 (Thu, 05 May 2016) $
#$Revision: 182586 $
#$URL: svn://www.crystallography.net/cod/cif/7/22/51/7225114.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_7225114
loop_
_publ_author_name
'Fang, Xiaolong'
'Zhang, Chunyan'
'Chen, Jin'
'Zhu, Hongping'
'Yuan, Youzhu'
_publ_section_title
;
 Synthesis and catalytic performance of ruthenium complexes ligated with
 rigid o-(diphenylphosphino)aniline for chemoselective hydrogenation of
 dimethyl oxalate
;
_journal_name_full               'RSC Adv.'
_journal_paper_doi               10.1039/C6RA00320F
_journal_year                    2016
_chemical_formula_sum            'C91.5 H80 N4 O2 P4 Ru2'
_chemical_formula_weight         1593.62
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-12-20 deposited with the CCDC.
2016-05-02 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 99.946(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.0553(4)
_cell_length_b                   21.4168(6)
_cell_length_c                   25.5830(7)
_cell_measurement_reflns_used    4516
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.1930
_cell_measurement_theta_min      3.2390
_cell_volume                     7585.2(4)
_computing_cell_refinement       CrysAlisPro
_computing_data_collection       CrysAlisPro
_computing_data_reduction        CrysAlisPro
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 16.1903
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Xcalibur, Sapphire3, Gemini ultra'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhanced (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0725
_diffrn_reflns_av_sigmaI/netI    0.0983
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -26
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -31
_diffrn_reflns_number            40417
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         3.07
_exptl_absorpt_coefficient_mu    0.536
_exptl_absorpt_correction_T_max  0.9483
_exptl_absorpt_correction_T_min  0.9004
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   empirical
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.395
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3284
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.719
_refine_diff_density_min         -0.651
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.027
_refine_ls_hydrogen_treatment
'refined in a riding mode to the carrier atom'
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1065
_refine_ls_number_reflns         14900
_refine_ls_number_restraints     1285
_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0924
_refine_ls_R_factor_gt           0.0580
_refine_ls_shift/su_max          0.013
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0340P)²+2.7523P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1114
_reflns_number_gt                10670
_reflns_number_total             14900
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra00320f2.cif
_cod_data_source_block           fxl-131218
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C91.50 H80 N4 O2 P4 Ru2'
_cod_database_code               7225114
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_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 0.17286(2) 0.306812(16) 0.510632(13) 0.01566(9) Uani 1 1 d . . .
Ru2 Ru 0.10838(2) 0.264687(15) 0.626426(12) 0.01467(9) Uani 1 1 d . . .
P1 P 0.07711(7) 0.34057(5) 0.68400(4) 0.0194(2) Uani 1 1 d . . .
P2 P 0.25491(7) 0.24815(5) 0.45566(4) 0.0194(2) Uani 1 1 d . . .
P3 P 0.01757(7) 0.29542(5) 0.46515(4) 0.0187(2) Uani 1 1 d . . .
P4 P 0.07008(7) 0.17523(5) 0.66895(4) 0.0181(2) Uani 1 1 d . . .
N1 N 0.1222(2) 0.34667(16) 0.57914(13) 0.0177(8) Uani 1 1 d . . .
H1 H 0.068(3) 0.354(2) 0.5677(16) 0.021 Uiso 1 1 d . . .
N2 N 0.3096(2) 0.30330(16) 0.55777(13) 0.0214(8) Uani 1 1 d . . .
H2A H 0.3154 0.3131 0.5916 0.026 Uiso 1 1 calc R . .
N3 N 0.1335(2) 0.22305(16) 0.54961(13) 0.0183(8) Uani 1 1 d . . .
H3 H 0.178(3) 0.1998(19) 0.5565(16) 0.022 Uiso 1 1 d . . .
N4 N -0.0375(2) 0.25856(16) 0.59343(12) 0.0177(8) Uani 1 1 d . . .
H4A H -0.0640 0.2889 0.5727 0.021 Uiso 1 1 calc R . .
C02 C 0.1954(3) 0.3787(2) 0.47553(16) 0.0226(10) Uani 1 1 d . . .
O2 O 0.2063(2) 0.42383(15) 0.45178(12) 0.0364(8) Uani 1 1 d . . .
C1 C 0.1640(3) 0.39940(19) 0.61048(16) 0.0193(9) Uani 1 1 d . . .
C2 C 0.2179(3) 0.4463(2) 0.59121(18) 0.0291(11) Uani 1 1 d . . .
H2B H 0.2328 0.4430 0.5565 0.035 Uiso 1 1 calc R . .
C3 C 0.2498(3) 0.4974(2) 0.62229(18) 0.0376(12) Uani 1 1 d . . .
H3A H 0.2853 0.5292 0.6083 0.045 Uiso 1 1 calc R . .
C4 C 0.2310(3) 0.5029(2) 0.67307(19) 0.0352(12) Uani 1 1 d . . .
H4B H 0.2531 0.5384 0.6940 0.042 Uiso 1 1 calc R . .
C5 C 0.1798(3) 0.4565(2) 0.69341(18) 0.0305(11) Uani 1 1 d . . .
H5A H 0.1673 0.4597 0.7287 0.037 Uiso 1 1 calc R . .
C6 C 0.1463(3) 0.4051(2) 0.66240(16) 0.0211(10) Uani 1 1 d . . .
C7 C -0.0468(3) 0.3702(2) 0.67427(16) 0.0237(10) Uani 1 1 d . . .
C8 C -0.1224(3) 0.3285(2) 0.67740(16) 0.0288(11) Uani 1 1 d . . .
H8A H -0.1089 0.2858 0.6856 0.035 Uiso 1 1 calc R . .
C9 C -0.2176(3) 0.3498(3) 0.66844(18) 0.0397(13) Uani 1 1 d . . .
H9A H -0.2685 0.3215 0.6715 0.048 Uiso 1 1 calc R . .
C10 C -0.2388(4) 0.4108(3) 0.6553(2) 0.0491(16) Uani 1 1 d . . .
H10A H -0.3040 0.4247 0.6487 0.059 Uiso 1 1 calc R . .
C11 C -0.1647(4) 0.4518(3) 0.6519(2) 0.0541(16) Uani 1 1 d . . .
H11A H -0.1791 0.4943 0.6429 0.065 Uiso 1 1 calc R . .
C12 C -0.0691(3) 0.4318(2) 0.66134(19) 0.0380(12) Uani 1 1 d . . .
H12A H -0.0188 0.4607 0.6589 0.046 Uiso 1 1 calc R . .
C13 C 0.1141(3) 0.3387(2) 0.75601(16) 0.0251(10) Uani 1 1 d . . .
C14 C 0.2120(3) 0.3342(2) 0.77715(18) 0.0391(13) Uani 1 1 d . . .
H14A H 0.2579 0.3332 0.7540 0.047 Uiso 1 1 calc R . .
C15 C 0.2432(4) 0.3314(2) 0.8312(2) 0.0429(14) Uani 1 1 d . . .
H15A H 0.3104 0.3293 0.8450 0.051 Uiso 1 1 calc R . .
C16 C 0.1774(4) 0.3315(2) 0.86500(19) 0.0406(13) Uani 1 1 d . . .
H16A H 0.1985 0.3292 0.9023 0.049 Uiso 1 1 calc R . .
C17 C 0.0820(4) 0.3350(3) 0.84463(19) 0.0523(16) Uani 1 1 d . . .
H17A H 0.0361 0.3341 0.8679 0.063 Uiso 1 1 calc R . .
C18 C 0.0503(3) 0.3397(3) 0.79069(19) 0.0453(15) Uani 1 1 d . . .
H18A H -0.0168 0.3438 0.7775 0.054 Uiso 1 1 calc R . .
C21 C 0.3895(3) 0.28660(19) 0.53842(16) 0.0199(9) Uani 1 1 d . . .
C22 C 0.4853(3) 0.2932(2) 0.56708(18) 0.0278(11) Uani 1 1 d . . .
H22A H 0.4951 0.3094 0.6022 0.033 Uiso 1 1 calc R . .
C23 C 0.5635(3) 0.2765(2) 0.54488(19) 0.0334(12) Uani 1 1 d . . .
H23A H 0.6265 0.2826 0.5646 0.040 Uiso 1 1 calc R . .
C24 C 0.5531(3) 0.2510(2) 0.49431(19) 0.0340(12) Uani 1 1 d . . .
H24A H 0.6081 0.2393 0.4795 0.041 Uiso 1 1 calc R . .
C25 C 0.4605(3) 0.2430(2) 0.46593(18) 0.0304(11) Uani 1 1 d . . .
H25A H 0.4522 0.2255 0.4313 0.036 Uiso 1 1 calc R . .
C26 C 0.3799(3) 0.2600(2) 0.48702(16) 0.0216(9) Uani 1 1 d . . .
C27 C 0.2520(3) 0.2610(2) 0.38415(16) 0.0246(10) Uani 1 1 d . . .
C28 C 0.2148(3) 0.3158(2) 0.35956(18) 0.0308(11) Uani 1 1 d . . .
H28A H 0.1894 0.3468 0.3799 0.037 Uiso 1 1 calc R . .
C29 C 0.2142(3) 0.3262(3) 0.30622(19) 0.0400(13) Uani 1 1 d . . .
H29A H 0.1891 0.3643 0.2904 0.048 Uiso 1 1 calc R . .
C30 C 0.2495(3) 0.2819(3) 0.27607(19) 0.0415(14) Uani 1 1 d . . .
H30A H 0.2491 0.2890 0.2394 0.050 Uiso 1 1 calc R . .
C31 C 0.2856(3) 0.2269(3) 0.29953(19) 0.0420(13) Uani 1 1 d . . .
H31A H 0.3096 0.1959 0.2787 0.050 Uiso 1 1 calc R . .
C32 C 0.2874(3) 0.2162(2) 0.35288(18) 0.0334(12) Uani 1 1 d . . .
H32A H 0.3129 0.1781 0.3684 0.040 Uiso 1 1 calc R . .
C33 C 0.2381(3) 0.1632(2) 0.45849(17) 0.0233(10) Uani 1 1 d . . .
C34 C 0.1705(3) 0.1318(2) 0.42163(19) 0.0342(12) Uani 1 1 d . . .
H34A H 0.1320 0.1543 0.3937 0.041 Uiso 1 1 calc R . .
C35 C 0.1592(4) 0.0678(3) 0.4255(2) 0.0446(14) Uani 1 1 d . . .
H35A H 0.1130 0.0468 0.4000 0.054 Uiso 1 1 calc R . .
C36 C 0.2136(4) 0.0342(2) 0.4655(2) 0.0463(14) Uani 1 1 d . . .
H36A H 0.2060 -0.0098 0.4674 0.056 Uiso 1 1 calc R . .
C37 C 0.2789(4) 0.0646(2) 0.5028(2) 0.0408(13) Uani 1 1 d . . .
H37A H 0.3157 0.0417 0.5311 0.049 Uiso 1 1 calc R . .
C38 C 0.2918(3) 0.1286(2) 0.49974(19) 0.0326(11) Uani 1 1 d . . .
H38A H 0.3374 0.1491 0.5258 0.039 Uiso 1 1 calc R . .
C41 C 0.0569(3) 0.18707(19) 0.52079(15) 0.0180(9) Uani 1 1 d . . .
C42 C 0.0443(3) 0.1238(2) 0.53122(16) 0.0213(10) Uani 1 1 d . . .
H42A H 0.0897 0.1032 0.5575 0.026 Uiso 1 1 calc R . .
C43 C -0.0326(3) 0.0908(2) 0.50418(18) 0.0293(11) Uani 1 1 d . . .
H43A H -0.0392 0.0477 0.5117 0.035 Uiso 1 1 calc R . .
C44 C -0.1005(3) 0.1194(2) 0.46609(18) 0.0295(11) Uani 1 1 d . . .
H44A H -0.1543 0.0965 0.4481 0.035 Uiso 1 1 calc R . .
C45 C -0.0894(3) 0.1812(2) 0.45459(17) 0.0257(10) Uani 1 1 d . . .
H45A H -0.1360 0.2010 0.4285 0.031 Uiso 1 1 calc R . .
C46 C -0.0109(3) 0.21565(19) 0.48044(15) 0.0187(9) Uani 1 1 d . . .
C47 C -0.0122(3) 0.3046(2) 0.39304(16) 0.0232(10) Uani 1 1 d . . .
C48 C -0.0174(3) 0.2548(2) 0.35789(18) 0.0334(12) Uani 1 1 d . . .
H48A H -0.0041 0.2137 0.3711 0.040 Uiso 1 1 calc R . .
C49 C -0.0419(3) 0.2646(3) 0.30324(19) 0.0448(14) Uani 1 1 d . . .
H49A H -0.0463 0.2302 0.2795 0.054 Uiso 1 1 calc R . .
C50 C -0.0596(3) 0.3235(3) 0.28397(19) 0.0452(15) Uani 1 1 d . . .
H50A H -0.0773 0.3298 0.2468 0.054 Uiso 1 1 calc R . .
C51 C -0.0523(3) 0.3738(3) 0.31753(19) 0.0418(13) Uani 1 1 d . . .
H51A H -0.0629 0.4149 0.3037 0.050 Uiso 1 1 calc R . .
C52 C -0.0290(3) 0.3643(2) 0.37206(17) 0.0307(11) Uani 1 1 d . . .
H52A H -0.0246 0.3992 0.3953 0.037 Uiso 1 1 calc R . .
C53 C -0.0768(3) 0.3472(2) 0.48303(15) 0.0198(9) Uani 1 1 d . . .
C54 C -0.1738(3) 0.3284(2) 0.47808(15) 0.0233(10) Uani 1 1 d . . .
H54A H -0.1923 0.2876 0.4657 0.028 Uiso 1 1 calc R . .
C55 C -0.2425(3) 0.3694(2) 0.49132(17) 0.0285(11) Uani 1 1 d . . .
H55A H -0.3081 0.3566 0.4875 0.034 Uiso 1 1 calc R . .
C56 C -0.2165(3) 0.4281(2) 0.50987(18) 0.0315(11) Uani 1 1 d . . .
H56A H -0.2637 0.4555 0.5196 0.038 Uiso 1 1 calc R . .
C57 C -0.1212(3) 0.4474(2) 0.51443(17) 0.0293(11) Uani 1 1 d . . .
H57A H -0.1031 0.4883 0.5268 0.035 Uiso 1 1 calc R . .
C58 C -0.0528(3) 0.4071(2) 0.50096(16) 0.0251(10) Uani 1 1 d . . .
H58A H 0.0123 0.4207 0.5041 0.030 Uiso 1 1 calc R . .
C61 C -0.0924(3) 0.2100(2) 0.60267(16) 0.0202(9) Uani 1 1 d . . .
C62 C -0.1904(3) 0.2040(2) 0.57768(17) 0.0260(10) Uani 1 1 d . . .
H62A H -0.2185 0.2354 0.5537 0.031 Uiso 1 1 calc R . .
C63 C -0.2448(3) 0.1542(2) 0.58747(19) 0.0394(13) Uani 1 1 d . . .
H63A H -0.3097 0.1512 0.5695 0.047 Uiso 1 1 calc R . .
C64 C -0.2079(3) 0.1073(2) 0.6231(2) 0.0404(13) Uani 1 1 d . . .
H64A H -0.2467 0.0728 0.6298 0.048 Uiso 1 1 calc R . .
C65 C -0.1128(3) 0.1126(2) 0.64860(19) 0.0355(12) Uani 1 1 d . . .
H65A H -0.0866 0.0813 0.6732 0.043 Uiso 1 1 calc R . .
C66 C -0.0544(3) 0.1627(2) 0.63913(16) 0.0217(10) Uani 1 1 d . . .
C67 C 0.0760(3) 0.17429(19) 0.74098(16) 0.0209(10) Uani 1 1 d . . .
C68 C 0.1659(3) 0.1699(2) 0.77387(18) 0.0334(12) Uani 1 1 d . . .
H68A H 0.2229 0.1688 0.7586 0.040 Uiso 1 1 calc R . .
C69 C 0.1734(3) 0.1670(2) 0.82826(18) 0.0378(12) Uani 1 1 d . . .
H69A H 0.2353 0.1640 0.8500 0.045 Uiso 1 1 calc R . .
C70 C 0.0923(4) 0.1685(2) 0.85139(19) 0.0391(13) Uani 1 1 d . . .
H70A H 0.0978 0.1664 0.8889 0.047 Uiso 1 1 calc R . .
C71 C 0.0027(3) 0.1732(2) 0.81964(19) 0.0407(13) Uani 1 1 d . . .
H71A H -0.0537 0.1744 0.8354 0.049 Uiso 1 1 calc R . .
C72 C -0.0059(3) 0.1761(2) 0.76486(19) 0.0341(12) Uani 1 1 d . . .
H72A H -0.0681 0.1793 0.7435 0.041 Uiso 1 1 calc R . .
C73 C 0.1414(3) 0.1039(2) 0.66346(16) 0.0217(10) Uani 1 1 d . . .
C74 C 0.1110(4) 0.0456(2) 0.6769(2) 0.0487(15) Uani 1 1 d . . .
H74A H 0.0502 0.0417 0.6881 0.058 Uiso 1 1 calc R . .
C75 C 0.1669(4) -0.0070(2) 0.6745(3) 0.0623(18) Uani 1 1 d . . .
H75A H 0.1444 -0.0466 0.6840 0.075 Uiso 1 1 calc R . .
C76 C 0.2552(4) -0.0023(2) 0.6583(2) 0.0430(13) Uani 1 1 d . . .
H76A H 0.2925 -0.0387 0.6553 0.052 Uiso 1 1 calc R . .
C77 C 0.2884(3) 0.0546(2) 0.6466(2) 0.0392(13) Uani 1 1 d . . .
H77A H 0.3505 0.0584 0.6371 0.047 Uiso 1 1 calc R . .
C78 C 0.2311(3) 0.1078(2) 0.64874(18) 0.0324(12) Uani 1 1 d . . .
H78A H 0.2545 0.1473 0.6398 0.039 Uiso 1 1 calc R . .
C91 C 0.0288(9) 0.0705(6) 0.2286(5) 0.0613(16) Uani 0.507(5) 1 d PU A 2
C92 C 0.0368(10) 0.0103(7) 0.2098(6) 0.0602(17) Uani 0.507(5) 1 d PU A 2
H92A H -0.0152 -0.0070 0.1854 0.072 Uiso 0.507(5) 1 calc PR A 2
C93 C 0.1215(9) -0.0263(7) 0.2263(5) 0.0625(17) Uani 0.507(5) 1 d PU A 2
H93A H 0.1253 -0.0663 0.2107 0.075 Uiso 0.507(5) 1 calc PR A 2
C94 C 0.1926(9) -0.0078(6) 0.2610(5) 0.0624(17) Uani 0.507(5) 1 d PU A 2
H94A H 0.2483 -0.0322 0.2738 0.075 Uiso 0.507(5) 1 calc PR A 2
C95 C 0.1766(11) 0.0569(7) 0.2787(6) 0.0641(17) Uani 0.507(5) 1 d PU A 2
H95A H 0.2270 0.0734 0.3046 0.077 Uiso 0.507(5) 1 calc PR A 2
C96 C 0.1082(10) 0.0923(8) 0.2650(6) 0.0626(17) Uani 0.507(5) 1 d PU A 2
H96A H 0.1090 0.1336 0.2787 0.075 Uiso 0.507(5) 1 calc PR A 2
C97 C -0.0505(10) 0.1113(7) 0.2091(6) 0.0655(17) Uani 0.507(5) 1 d PU A 2
H97A H -0.0990 0.0885 0.1841 0.098 Uiso 0.507(5) 1 calc PR A 2
H97B H -0.0271 0.1470 0.1911 0.098 Uiso 0.507(5) 1 calc PR A 2
H97C H -0.0798 0.1262 0.2390 0.098 Uiso 0.507(5) 1 calc PR A 2
C91A C -0.0523(10) 0.0750(7) 0.1965(6) 0.0630(17) Uani 0.493(5) 1 d PU A 1
H91A H -0.1154 0.0795 0.1764 0.076 Uiso 0.493(5) 1 calc PR A 1
C92A C -0.0113(10) 0.0188(7) 0.2032(6) 0.0627(17) Uani 0.493(5) 1 d PU A 1
H92B H -0.0466 -0.0159 0.1867 0.075 Uiso 0.493(5) 1 calc PR A 1
C93A C 0.0763(10) 0.0081(8) 0.2316(6) 0.0610(17) Uani 0.493(5) 1 d PU A 1
H93B H 0.1039 -0.0325 0.2348 0.073 Uiso 0.493(5) 1 calc PR A 1
C94A C 0.1226(11) 0.0575(7) 0.2553(6) 0.0618(17) Uani 0.493(5) 1 d PU A 1
C95A C 0.0882(10) 0.1184(7) 0.2497(6) 0.0614(17) Uani 0.493(5) 1 d PU A 1
H95B H 0.1259 0.1520 0.2665 0.074 Uiso 0.493(5) 1 calc PR A 1
C96A C 0.0001(9) 0.1291(7) 0.2201(5) 0.0625(17) Uani 0.493(5) 1 d PU A 1
H96B H -0.0259 0.1700 0.2150 0.075 Uiso 0.493(5) 1 calc PR A 1
C97A C 0.2249(9) 0.0460(7) 0.2872(5) 0.0639(18) Uani 0.493(5) 1 d PU A 1
H97D H 0.2509 0.0853 0.3034 0.096 Uiso 0.493(5) 1 calc PR A 1
H97E H 0.2671 0.0304 0.2633 0.096 Uiso 0.493(5) 1 calc PR A 1
H97F H 0.2214 0.0151 0.3150 0.096 Uiso 0.493(5) 1 calc PR A 1
C01 C 0.2373(3) 0.2631(2) 0.65858(16) 0.0219(10) Uani 1 1 d . . .
O1 O 0.3163(2) 0.26093(15) 0.68153(11) 0.0321(8) Uani 1 1 d . . .
C81 C 0.5334(6) 0.0085(4) 0.6106(4) 0.0936(19) Uani 0.658(7) 1 d PGU B 2
C82 C 0.5236(7) 0.0654(5) 0.5841(3) 0.0929(18) Uani 0.658(7) 1 d PGU B 2
H82A H 0.5148 0.0664 0.5465 0.112 Uiso 0.658(7) 1 calc PR B 2
C83 C 0.5267(7) 0.1208(4) 0.6127(4) 0.0951(19) Uani 0.658(7) 1 d PGU B 2
H83A H 0.5200 0.1597 0.5946 0.114 Uiso 0.658(7) 1 calc PR B 2
C84 C 0.5396(8) 0.1193(4) 0.6678(4) 0.0966(19) Uani 0.658(7) 1 d PGU B 2
H84A H 0.5417 0.1571 0.6873 0.116 Uiso 0.658(7) 1 calc PR B 2
C85 C 0.5494(8) 0.0624(5) 0.6943(3) 0.0949(18) Uani 0.658(7) 1 d PGU B 2
H85A H 0.5583 0.0614 0.7320 0.114 Uiso 0.658(7) 1 calc PR B 2
C86 C 0.5464(7) 0.0070(4) 0.6657(4) 0.0954(18) Uani 0.658(7) 1 d PGU B 2
H86A H 0.5531 -0.0319 0.6839 0.114 Uiso 0.658(7) 1 calc PR B 2
C87 C 0.5328(7) -0.0476(6) 0.5826(5) 0.102(2) Uani 0.658(7) 1 d PU B 2
H87A H 0.5227 -0.0389 0.5444 0.153 Uiso 0.658(7) 1 calc PR B 2
H87B H 0.4806 -0.0744 0.5905 0.153 Uiso 0.658(7) 1 calc PR B 2
H87C H 0.5949 -0.0690 0.5931 0.153 Uiso 0.658(7) 1 calc PR B 2
C81A C 0.5333(16) 0.1126(6) 0.6423(9) 0.096(2) Uani 0.342(7) 1 d PGU B 1
C82A C 0.5494(16) 0.0753(10) 0.6875(6) 0.0965(19) Uani 0.342(7) 1 d PGU B 1
H82B H 0.5506 0.0935 0.7215 0.116 Uiso 0.342(7) 1 calc PR B 1
C83A C 0.5637(15) 0.0115(9) 0.6829(6) 0.098(2) Uani 0.342(7) 1 d PGU B 1
H83B H 0.5747 -0.0140 0.7138 0.117 Uiso 0.342(7) 1 calc PR B 1
C84A C 0.5619(13) -0.0151(7) 0.6332(8) 0.099(2) Uani 0.342(7) 1 d PGU B 1
H84B H 0.5717 -0.0588 0.6301 0.119 Uiso 0.342(7) 1 calc PR B 1
C85A C 0.5458(13) 0.0221(10) 0.5881(6) 0.098(2) Uani 0.342(7) 1 d PGU B 1
H85B H 0.5446 0.0039 0.5541 0.118 Uiso 0.342(7) 1 calc PR B 1
C86A C 0.5315(14) 0.0860(9) 0.5926(7) 0.096(2) Uani 0.342(7) 1 d PGU B 1
H86B H 0.5205 0.1114 0.5618 0.116 Uiso 0.342(7) 1 calc PR B 1
C87A C 0.5358(14) 0.1750(11) 0.6552(9) 0.098(2) Uani 0.342(7) 1 d PU B 1
H87D H 0.5379 0.1797 0.6934 0.147 Uiso 0.342(7) 1 calc PR B 1
H87E H 0.4778 0.1955 0.6360 0.147 Uiso 0.342(7) 1 calc PR B 1
H87F H 0.5933 0.1942 0.6452 0.147 Uiso 0.342(7) 1 calc PR B 1
C101 C -0.5180(6) 0.4537(4) 0.5214(4) 0.096(3) Uani 1 1 d U . .
C102 C -0.4647(12) 0.5245(9) 0.5336(7) 0.084(3) Uani 0.50 1 d PU . .
C103 C -0.4687(13) 0.5364(10) 0.5645(8) 0.091(3) Uani 0.50 1 d PU . .
C104 C -0.4278(13) 0.5552(9) 0.5864(7) 0.092(3) Uani 0.50 1 d PU . .
C105 C -0.4992(12) 0.4748(9) 0.5630(7) 0.093(3) Uani 0.50 1 d PU . .
C106 C -0.4668(11) 0.5683(9) 0.5201(8) 0.088(3) Uani 0.50 1 d PU . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0.0000 0.0000 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0061 0.0033 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0106 0.0060 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
C02 Ru1 N2 95.35(15) . .
C02 Ru1 N3 175.22(15) . .
N2 Ru1 N3 89.26(12) . .
C02 Ru1 N1 99.95(15) . .
N2 Ru1 N1 86.88(12) . .
N3 Ru1 N1 79.00(13) . .
C02 Ru1 P3 94.04(12) . .
N2 Ru1 P3 170.59(10) . .
N3 Ru1 P3 81.36(9) . .
N1 Ru1 P3 92.00(9) . .
C02 Ru1 P2 90.67(13) . .
N2 Ru1 P2 80.06(9) . .
N3 Ru1 P2 91.36(9) . .
N1 Ru1 P2 163.89(9) . .
P3 Ru1 P2 99.35(4) . .
C01 Ru2 N4 174.79(16) . .
C01 Ru2 N1 95.05(15) . .
N4 Ru2 N1 90.08(12) . .
C01 Ru2 N3 95.26(15) . .
N4 Ru2 N3 84.98(12) . .
N1 Ru2 N3 77.84(12) . .
C01 Ru2 P1 90.53(13) . .
N4 Ru2 P1 91.18(9) . .
N1 Ru2 P1 80.14(9) . .
N3 Ru2 P1 157.63(10) . .
C01 Ru2 P4 93.72(13) . .
N4 Ru2 P4 81.11(9) . .
N1 Ru2 P4 171.05(9) . .
N3 Ru2 P4 99.65(9) . .
P1 Ru2 P4 101.51(4) . .
C13 P1 C6 104.34(19) . .
C13 P1 C7 104.08(19) . .
C6 P1 C7 103.92(19) . .
C13 P1 Ru2 125.55(15) . .
C6 P1 Ru2 99.84(14) . .
C7 P1 Ru2 116.30(14) . .
C26 P2 C33 104.00(19) . .
C26 P2 C27 105.75(18) . .
C33 P2 C27 101.9(2) . .
C26 P2 Ru1 101.48(14) . .
C33 P2 Ru1 115.40(13) . .
C27 P2 Ru1 126.09(15) . .
C46 P3 C47 107.3(2) . .
C46 P3 C53 108.52(18) . .
C47 P3 C53 97.84(18) . .
C46 P3 Ru1 102.49(13) . .
C47 P3 Ru1 121.98(13) . .
C53 P3 Ru1 118.05(14) . .
C66 P4 C67 107.25(18) . .
C66 P4 C73 110.15(19) . .
C67 P4 C73 97.85(18) . .
C66 P4 Ru2 102.25(14) . .
C67 P4 Ru2 120.59(13) . .
C73 P4 Ru2 118.43(14) . .
C1 N1 Ru2 113.0(2) . .
C1 N1 Ru1 126.4(2) . .
Ru2 N1 Ru1 101.87(14) . .
C1 N1 H1 109(3) . .
Ru2 N1 H1 101(3) . .
Ru1 N1 H1 102(3) . .
C21 N2 Ru1 122.6(3) . .
C21 N2 H2A 118.7 . .
Ru1 N2 H2A 118.7 . .
C41 N3 Ru1 116.1(3) . .
C41 N3 Ru2 116.8(2) . .
Ru1 N3 Ru2 99.52(14) . .
C41 N3 H3 106(3) . .
Ru1 N3 H3 111(3) . .
Ru2 N3 H3 107(3) . .
C61 N4 Ru2 122.3(3) . .
C61 N4 H4A 118.8 . .
Ru2 N4 H4A 118.8 . .
O2 C02 Ru1 177.2(4) . .
C6 C1 C2 117.9(4) . .
C6 C1 N1 118.2(3) . .
C2 C1 N1 123.9(4) . .
C3 C2 C1 120.5(4) . .
C3 C2 H2B 119.7 . .
C1 C2 H2B 119.7 . .
C4 C3 C2 121.1(4) . .
C4 C3 H3A 119.4 . .
C2 C3 H3A 119.4 . .
C3 C4 C5 119.4(4) . .
C3 C4 H4B 120.3 . .
C5 C4 H4B 120.3 . .
C4 C5 C6 120.1(4) . .
C4 C5 H5A 119.9 . .
C6 C5 H5A 119.9 . .
C5 C6 C1 120.9(4) . .
C5 C6 P1 124.8(3) . .
C1 C6 P1 114.3(3) . .
C12 C7 C8 118.6(4) . .
C12 C7 P1 122.3(4) . .
C8 C7 P1 119.0(3) . .
C9 C8 C7 119.9(5) . .
C9 C8 H8A 120.1 . .
C7 C8 H8A 120.1 . .
C10 C9 C8 120.9(5) . .
C10 C9 H9A 119.5 . .
C8 C9 H9A 119.5 . .
C9 C10 C11 119.3(5) . .
C9 C10 H10A 120.3 . .
C11 C10 H10A 120.3 . .
C10 C11 C12 120.7(5) . .
C10 C11 H11A 119.6 . .
C12 C11 H11A 119.6 . .
C7 C12 C11 120.5(5) . .
C7 C12 H12A 119.8 . .
C11 C12 H12A 119.8 . .
C18 C13 C14 117.7(4) . .
C18 C13 P1 123.4(3) . .
C14 C13 P1 118.9(3) . .
C15 C14 C13 121.0(4) . .
C15 C14 H14A 119.5 . .
C13 C14 H14A 119.5 . .
C16 C15 C14 120.0(5) . .
C16 C15 H15A 120.0 . .
C14 C15 H15A 120.0 . .
C17 C16 C15 119.2(5) . .
C17 C16 H16A 120.4 . .
C15 C16 H16A 120.4 . .
C16 C17 C18 121.1(5) . .
C16 C17 H17A 119.5 . .
C18 C17 H17A 119.5 . .
C13 C18 C17 120.9(4) . .
C13 C18 H18A 119.5 . .
C17 C18 H18A 119.5 . .
N2 C21 C26 119.6(3) . .
N2 C21 C22 123.8(4) . .
C26 C21 C22 116.5(4) . .
C23 C22 C21 121.1(4) . .
C23 C22 H22A 119.5 . .
C21 C22 H22A 119.5 . .
C22 C23 C24 121.8(4) . .
C22 C23 H23A 119.1 . .
C24 C23 H23A 119.1 . .
C25 C24 C23 118.3(4) . .
C25 C24 H24A 120.8 . .
C23 C24 H24A 120.8 . .
C26 C25 C24 121.4(4) . .
C26 C25 H25A 119.3 . .
C24 C25 H25A 119.3 . .
C25 C26 C21 120.9(4) . .
C25 C26 P2 125.7(3) . .
C21 C26 P2 113.3(3) . .
C28 C27 C32 117.7(4) . .
C28 C27 P2 121.1(3) . .
C32 C27 P2 121.2(4) . .
C29 C28 C27 121.4(4) . .
C29 C28 H28A 119.3 . .
C27 C28 H28A 119.3 . .
C30 C29 C28 120.2(5) . .
C30 C29 H29A 119.9 . .
C28 C29 H29A 119.9 . .
C29 C30 C31 119.3(5) . .
C29 C30 H30A 120.3 . .
C31 C30 H30A 120.3 . .
C30 C31 C32 121.0(5) . .
C30 C31 H31A 119.5 . .
C32 C31 H31A 119.5 . .
C31 C32 C27 120.4(5) . .
C31 C32 H32A 119.8 . .
C27 C32 H32A 119.8 . .
C34 C33 C38 118.1(4) . .
C34 C33 P2 122.0(4) . .
C38 C33 P2 119.9(3) . .
C35 C34 C33 120.3(5) . .
C35 C34 H34A 119.9 . .
C33 C34 H34A 119.9 . .
C36 C35 C34 121.0(5) . .
C36 C35 H35A 119.5 . .
C34 C35 H35A 119.5 . .
C37 C36 C35 119.4(5) . .
C37 C36 H36A 120.3 . .
C35 C36 H36A 120.3 . .
C36 C37 C38 120.6(5) . .
C36 C37 H37A 119.7 . .
C38 C37 H37A 119.7 . .
C37 C38 C33 120.6(5) . .
C37 C38 H38A 119.7 . .
C33 C38 H38A 119.7 . .
C42 C41 C46 117.8(4) . .
C42 C41 N3 122.4(4) . .
C46 C41 N3 119.8(4) . .
C43 C42 C41 121.1(4) . .
C43 C42 H42A 119.4 . .
C41 C42 H42A 119.4 . .
C42 C43 C44 120.9(4) . .
C42 C43 H43A 119.5 . .
C44 C43 H43A 119.5 . .
C45 C44 C43 119.2(4) . .
C45 C44 H44A 120.4 . .
C43 C44 H44A 120.4 . .
C44 C45 C46 121.3(4) . .
C44 C45 H45A 119.4 . .
C46 C45 H45A 119.4 . .
C45 C46 C41 119.6(4) . .
C45 C46 P3 125.6(3) . .
C41 C46 P3 114.7(3) . .
C48 C47 C52 118.0(4) . .
C48 C47 P3 123.2(4) . .
C52 C47 P3 118.8(3) . .
C47 C48 C49 120.5(5) . .
C47 C48 H48A 119.7 . .
C49 C48 H48A 119.7 . .
C50 C49 C48 120.0(5) . .
C50 C49 H49A 120.0 . .
C48 C49 H49A 120.0 . .
C49 C50 C51 120.8(5) . .
C49 C50 H50A 119.6 . .
C51 C50 H50A 119.6 . .
C50 C51 C52 119.5(5) . .
C50 C51 H51A 120.3 . .
C52 C51 H51A 120.3 . .
C51 C52 C47 121.1(5) . .
C51 C52 H52A 119.5 . .
C47 C52 H52A 119.5 . .
C58 C53 C54 118.2(4) . .
C58 C53 P3 119.6(3) . .
C54 C53 P3 122.2(3) . .
C55 C54 C53 120.1(4) . .
C55 C54 H54A 120.0 . .
C53 C54 H54A 120.0 . .
C56 C55 C54 120.6(4) . .
C56 C55 H55A 119.7 . .
C54 C55 H55A 119.7 . .
C55 C56 C57 119.9(4) . .
C55 C56 H56A 120.1 . .
C57 C56 H56A 120.1 . .
C58 C57 C56 119.8(4) . .
C58 C57 H57A 120.1 . .
C56 C57 H57A 120.1 . .
C57 C58 C53 121.5(4) . .
C57 C58 H58A 119.3 . .
C53 C58 H58A 119.3 . .
N4 C61 C66 120.5(3) . .
N4 C61 C62 122.3(4) . .
C66 C61 C62 117.2(4) . .
C63 C62 C61 121.3(4) . .
C63 C62 H62A 119.3 . .
C61 C62 H62A 119.3 . .
C62 C63 C64 121.8(4) . .
C62 C63 H63A 119.1 . .
C64 C63 H63A 119.1 . .
C65 C64 C63 117.8(4) . .
C65 C64 H64A 121.1 . .
C63 C64 H64A 121.1 . .
C64 C65 C66 122.0(4) . .
C64 C65 H65A 119.0 . .
C66 C65 H65A 119.0 . .
C65 C66 C61 119.8(4) . .
C65 C66 P4 126.7(3) . .
C61 C66 P4 113.6(3) . .
C72 C67 C68 117.9(4) . .
C72 C67 P4 122.9(3) . .
C68 C67 P4 119.2(3) . .
C69 C68 C67 121.0(4) . .
C69 C68 H68A 119.5 . .
C67 C68 H68A 119.5 . .
C70 C69 C68 120.7(4) . .
C70 C69 H69A 119.6 . .
C68 C69 H69A 119.6 . .
C69 C70 C71 119.3(4) . .
C69 C70 H70A 120.3 . .
C71 C70 H70A 120.3 . .
C70 C71 C72 120.7(4) . .
C70 C71 H71A 119.7 . .
C72 C71 H71A 119.7 . .
C71 C72 C67 120.5(4) . .
C71 C72 H72A 119.8 . .
C67 C72 H72A 119.8 . .
C78 C73 C74 117.3(4) . .
C78 C73 P4 120.4(3) . .
C74 C73 P4 122.2(3) . .
C75 C74 C73 121.5(4) . .
C75 C74 H74A 119.2 . .
C73 C74 H74A 119.2 . .
C76 C75 C74 120.2(5) . .
C76 C75 H75A 119.9 . .
C74 C75 H75A 119.9 . .
C77 C76 C75 119.5(5) . .
C77 C76 H76A 120.2 . .
C75 C76 H76A 120.2 . .
C76 C77 C78 120.0(4) . .
C76 C77 H77A 120.0 . .
C78 C77 H77A 120.0 . .
C73 C78 C77 121.4(4) . .
C73 C78 H78A 119.3 . .
C77 C78 H78A 119.3 . .
C92 C91 C96 115.8(13) . .
C92 C91 C97 123.4(13) . .
C96 C91 C97 120.5(14) . .
C91 C92 C93 121.5(14) . .
C91 C92 H92A 119.3 . .
C93 C92 H92A 119.3 . .
C94 C93 C92 123.1(15) . .
C94 C93 H93A 118.4 . .
C92 C93 H93A 118.4 . .
C93 C94 C95 111.0(13) . .
C93 C94 H94A 124.5 . .
C95 C94 H94A 124.5 . .
C96 C95 C94 129.9(18) . .
C96 C95 H95A 115.0 . .
C94 C95 H95A 115.0 . .
C95 C96 C91 118.5(18) . .
C95 C96 H96A 120.7 . .
C91 C96 H96A 120.7 . .
C91 C97 H97A 109.5 . .
C91 C97 H97B 109.5 . .
H97A C97 H97B 109.5 . .
C91 C97 H97C 109.5 . .
H97A C97 H97C 109.5 . .
H97B C97 H97C 109.5 . .
C92A C91A C96A 119.5(12) . .
C92A C91A H91A 120.3 . .
C96A C91A H91A 120.3 . .
C91A C92A C93A 124.2(14) . .
C91A C92A H92B 117.9 . .
C93A C92A H92B 117.9 . .
C94A C93A C92A 116.3(15) . .
C94A C93A H93B 121.9 . .
C92A C93A H93B 121.9 . .
C93A C94A C95A 124.4(14) . .
C93A C94A C97A 116.8(14) . .
C95A C94A C97A 118.6(14) . .
C96A C95A C94A 118.9(13) . .
C96A C95A H95B 120.5 . .
C94A C95A H95B 120.5 . .
C95A C96A C91A 116.6(13) . .
C95A C96A H96B 121.7 . .
C91A C96A H96B 121.7 . .
C94A C97A H97D 109.5 . .
C94A C97A H97E 109.5 . .
H97D C97A H97E 109.5 . .
C94A C97A H97F 109.5 . .
H97D C97A H97F 109.5 . .
H97E C97A H97F 109.5 . .
O1 C01 Ru2 175.9(3) . .
C82 C81 C86 120.0 . .
C82 C81 C87 120.7(9) . .
C86 C81 C87 119.2(9) . .
C83 C82 C81 120.0 . .
C83 C82 H82A 120.0 . .
C81 C82 H82A 120.0 . .
C82 C83 C84 120.0 . .
C82 C83 H83A 120.0 . .
C84 C83 H83A 120.0 . .
C85 C84 C83 120.0 . .
C85 C84 H84A 120.0 . .
C83 C84 H84A 120.0 . .
C84 C85 C86 120.0 . .
C84 C85 H85A 120.0 . .
C86 C85 H85A 120.0 . .
C85 C86 C81 120.0 . .
C85 C86 H86A 120.0 . .
C81 C86 H86A 120.0 . .
C81 C87 H87A 109.5 . .
C81 C87 H87B 109.5 . .
H87A C87 H87B 109.5 . .
C81 C87 H87C 109.5 . .
H87A C87 H87C 109.5 . .
H87B C87 H87C 109.5 . .
C87A C81A C82A 111.5(18) . .
C87A C81A C86A 127.7(18) . .
C82A C81A C86A 120.0 . .
C83A C82A C81A 120.0 . .
C83A C82A H82B 120.0 . .
C81A C82A H82B 120.0 . .
C82A C83A C84A 120.0 . .
C82A C83A H83B 120.0 . .
C84A C83A H83B 120.0 . .
C85A C84A C83A 120.0 . .
C85A C84A H84B 120.0 . .
C83A C84A H84B 120.0 . .
C84A C85A C86A 120.0 . .
C84A C85A H85B 120.0 . .
C86A C85A H85B 120.0 . .
C85A C86A C81A 120.0 . .
C85A C86A H86B 120.0 . .
C81A C86A H86B 120.0 . .
C81A C87A H87D 109.5 . .
C81A C87A H87E 109.5 . .
H87D C87A H87E 109.5 . .
C81A C87A H87F 109.5 . .
H87D C87A H87F 109.5 . .
H87E C87A H87F 109.5 . .
C105 C101 C106 177.2(16) . 3_466
C105 C101 C102 137.8(16) . 3_466
C106 C101 C102 42.9(11) 3_466 3_466
C105 C101 C102 56.8(11) . .
C106 C101 C102 122.8(13) 3_466 .
C102 C101 C102 83.4(12) 3_466 .
C103 C102 C106 92(3) . .
C103 C102 C105 69(2) . .
C106 C102 C105 152(2) . .
C103 C102 C101 141(3) . 3_466
C106 C102 C101 51.4(14) . 3_466
C105 C102 C101 136.6(17) . 3_466
C103 C102 C104 25.5(19) . .
C106 C102 C104 83(2) . .
C105 C102 C104 87.1(16) . .
C101 C102 C104 134.0(17) 3_466 .
C103 C102 C101 110(2) . .
C106 C102 C101 142(2) . .
C105 C102 C101 41.7(9) . .
C101 C102 C101 96.6(12) 3_466 .
C104 C102 C101 128.7(16) . .
C104 C103 C102 129(4) . .
C104 C103 C106 102(3) . .
C102 C103 C106 48.6(19) . .
C104 C103 C105 131(3) . .
C102 C103 C105 76(2) . .
C106 C103 C105 121(2) . .
C103 C104 C102 25.7(18) . .
C103 C104 C106 49(2) . .
C102 C104 C106 35.4(10) . .
C103 C104 C105 31(2) . .
C102 C104 C105 44.9(11) . .
C106 C104 C105 77.9(10) . .
C101 C105 C103 115.1(17) . .
C101 C105 C102 81.5(13) . .
C103 C105 C102 34.7(11) . .
C101 C105 C104 129.3(14) . .
C103 C105 C104 18.1(10) . .
C102 C105 C104 48.0(11) . .
C102 C106 C101 86(2) . 3_466
C102 C106 C103 39.2(14) . .
C101 C106 C103 123(2) 3_466 .
C102 C106 C104 61.2(17) . .
C101 C106 C104 145.6(16) 3_466 .
C103 C106 C104 28.4(11) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C02 1.838(5) .
Ru1 N2 2.086(3) .
Ru1 N3 2.170(4) .
Ru1 N1 2.177(3) .
Ru1 P3 2.3022(10) .
Ru1 P2 2.3338(11) .
Ru2 C01 1.857(4) .
Ru2 N4 2.082(3) .
Ru2 N1 2.160(3) .
Ru2 N3 2.241(3) .
Ru2 P1 2.2863(11) .
Ru2 P4 2.3121(11) .
P1 C13 1.826(4) .
P1 C6 1.830(4) .
P1 C7 1.830(4) .
P2 C26 1.818(4) .
P2 C33 1.838(4) .
P2 C27 1.843(4) .
P3 C46 1.813(4) .
P3 C47 1.830(4) .
P3 C53 1.847(4) .
P4 C66 1.804(4) .
P4 C67 1.830(4) .
P4 C73 1.845(4) .
N1 C1 1.449(5) .
N1 H1 0.78(4) .
N2 C21 1.351(5) .
N2 H2A 0.8800 .
N3 C41 1.421(5) .
N3 H3 0.80(4) .
N4 C61 1.341(5) .
N4 H4A 0.8800 .
C02 O2 1.165(5) .
C1 C6 1.398(5) .
C1 C2 1.398(6) .
C2 C3 1.381(6) .
C2 H2B 0.9500 .
C3 C4 1.375(6) .
C3 H3A 0.9500 .
C4 C5 1.381(6) .
C4 H4B 0.9500 .
C5 C6 1.391(6) .
C5 H5A 0.9500 .
C7 C12 1.384(6) .
C7 C8 1.400(6) .
C8 C9 1.394(6) .
C8 H8A 0.9500 .
C9 C10 1.369(7) .
C9 H9A 0.9500 .
C10 C11 1.377(7) .
C10 H10A 0.9500 .
C11 C12 1.391(6) .
C11 H11A 0.9500 .
C12 H12A 0.9500 .
C13 C18 1.366(6) .
C13 C14 1.392(6) .
C14 C15 1.377(6) .
C14 H14A 0.9500 .
C15 C16 1.372(7) .
C15 H15A 0.9500 .
C16 C17 1.354(6) .
C16 H16A 0.9500 .
C17 C18 1.378(6) .
C17 H17A 0.9500 .
C18 H18A 0.9500 .
C21 C26 1.418(6) .
C21 C22 1.426(5) .
C22 C23 1.368(6) .
C22 H22A 0.9500 .
C23 C24 1.389(6) .
C23 H23A 0.9500 .
C24 C25 1.387(6) .
C24 H24A 0.9500 .
C25 C26 1.386(5) .
C25 H25A 0.9500 .
C27 C28 1.390(6) .
C27 C32 1.395(6) .
C28 C29 1.381(6) .
C28 H28A 0.9500 .
C29 C30 1.369(7) .
C29 H29A 0.9500 .
C30 C31 1.378(7) .
C30 H30A 0.9500 .
C31 C32 1.380(6) .
C31 H31A 0.9500 .
C32 H32A 0.9500 .
C33 C34 1.391(6) .
C33 C38 1.399(6) .
C34 C35 1.385(7) .
C34 H34A 0.9500 .
C35 C36 1.372(7) .
C35 H35A 0.9500 .
C36 C37 1.369(7) .
C36 H36A 0.9500 .
C37 C38 1.385(6) .
C37 H37A 0.9500 .
C38 H38A 0.9500 .
C41 C42 1.399(6) .
C41 C46 1.418(5) .
C42 C43 1.374(5) .
C42 H42A 0.9500 .
C43 C44 1.384(6) .
C43 H43A 0.9500 .
C44 C45 1.371(6) .
C44 H44A 0.9500 .
C45 C46 1.395(5) .
C45 H45A 0.9500 .
C47 C48 1.389(6) .
C47 C52 1.392(6) .
C48 C49 1.397(6) .
C48 H48A 0.9500 .
C49 C50 1.361(7) .
C49 H49A 0.9500 .
C50 C51 1.371(7) .
C50 H50A 0.9500 .
C51 C52 1.392(6) .
C51 H51A 0.9500 .
C52 H52A 0.9500 .
C53 C58 1.385(6) .
C53 C54 1.405(5) .
C54 C55 1.391(6) .
C54 H54A 0.9500 .
C55 C56 1.371(6) .
C55 H55A 0.9500 .
C56 C57 1.388(6) .
C56 H56A 0.9500 .
C57 C58 1.379(6) .
C57 H57A 0.9500 .
C58 H58A 0.9500 .
C61 C66 1.418(6) .
C61 C62 1.420(5) .
C62 C63 1.361(6) .
C62 H62A 0.9500 .
C63 C64 1.395(6) .
C63 H63A 0.9500 .
C64 C65 1.387(6) .
C64 H64A 0.9500 .
C65 C66 1.397(6) .
C65 H65A 0.9500 .
C67 C72 1.395(5) .
C67 C68 1.395(5) .
C68 C69 1.379(6) .
C68 H68A 0.9500 .
C69 C70 1.372(6) .
C69 H69A 0.9500 .
C70 C71 1.379(6) .
C70 H70A 0.9500 .
C71 C72 1.387(6) .
C71 H71A 0.9500 .
C72 H72A 0.9500 .
C73 C78 1.378(5) .
C73 C74 1.382(6) .
C74 C75 1.382(6) .
C74 H74A 0.9500 .
C75 C76 1.377(7) .
C75 H75A 0.9500 .
C76 C77 1.357(7) .
C76 H76A 0.9500 .
C77 C78 1.402(6) .
C77 H77A 0.9500 .
C78 H78A 0.9500 .
C91 C92 1.388(19) .
C91 C96 1.405(19) .
C91 C97 1.436(18) .
C92 C93 1.426(17) .
C92 H92A 0.9500 .
C93 C94 1.280(15) .
C93 H93A 0.9500 .
C94 C95 1.488(18) .
C94 H94A 0.9500 .
C95 C96 1.226(18) .
C95 H95A 0.9500 .
C96 H96A 0.9500 .
C97 H97A 0.9800 .
C97 H97B 0.9800 .
C97 H97C 0.9800 .
C91A C92A 1.333(18) .
C91A C96A 1.447(18) .
C91A H91A 0.9500 .
C92A C93A 1.338(17) .
C92A H92B 0.9500 .
C93A C94A 1.331(19) .
C93A H93B 0.9500 .
C94A C95A 1.390(19) .
C94A C97A 1.545(17) .
C95A C96A 1.355(17) .
C95A H95B 0.9500 .
C96A H96B 0.9500 .
C97A H97D 0.9800 .
C97A H97E 0.9800 .
C97A H97F 0.9800 .
C01 O1 1.164(4) .
C81 C82 1.3900 .
C81 C86 1.3900 .
C81 C87 1.400(13) .
C82 C83 1.3900 .
C82 H82A 0.9500 .
C83 C84 1.3900 .
C83 H83A 0.9500 .
C84 C85 1.3900 .
C84 H84A 0.9500 .
C85 C86 1.3900 .
C85 H85A 0.9500 .
C86 H86A 0.9500 .
C87 H87A 0.9800 .
C87 H87B 0.9800 .
C87 H87C 0.9800 .
C81A C87A 1.38(3) .
C81A C82A 1.3900 .
C81A C86A 1.3900 .
C82A C83A 1.3900 .
C82A H82B 0.9500 .
C83A C84A 1.3900 .
C83A H83B 0.9500 .
C84A C85A 1.3900 .
C84A H84B 0.9500 .
C85A C86A 1.3900 .
C85A H85B 0.9500 .
C86A H86B 0.9500 .
C87A H87D 0.9800 .
C87A H87E 0.9800 .
C87A H87F 0.9800 .
C101 C105 1.143(17) .
C101 C106 1.147(18) 3_466
C101 C102 1.463(18) 3_466
C101 C102 1.70(2) .
C102 C103 0.84(2) .
C102 C106 1.00(2) .
C102 C105 1.44(3) .
C102 C101 1.463(18) 3_466
C102 C104 1.51(2) .
C103 C104 0.83(2) .
C103 C106 1.33(2) .
C103 C105 1.39(2) .
C104 C106 1.71(3) .
C104 C105 2.03(3) .
C106 C101 1.147(18) 3_466
