#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:14:16 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179318 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/15/4321536.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_4321536
loop_
_publ_author_name
'Qian-Feng Zhang'
'Hegen Zheng'
'Wai-Yeung Wong'
'Wing-Tak Wong'
'Wa-Hung Leung'
_publ_section_title
;
 Ruthenium(II) Ammine and Hydrazine Complexes with [N(Ph2PQ)2]- (Q = S,
 Se) Ligands
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5255
_journal_page_last               5264
_journal_paper_doi               10.1021/ic000291c
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C67 H57 Cl2 N3 P5 Ru Se4'
_chemical_formula_weight         1546.82
_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                90.4100(10)
_cell_angle_beta                 102.1260(10)
_cell_angle_gamma                109.5790(10)
_cell_formula_units_Z            2
_cell_length_a                   13.0385(6)
_cell_length_b                   14.1278(6)
_cell_length_c                   19.5468(8)
_cell_measurement_temperature    293(2)
_cell_volume                     3305.0(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.940
_diffrn_measured_fraction_theta_max 0.940
_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  0.0212
_diffrn_reflns_av_sigmaI/netI    0.0519
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            19778
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         1.54
_exptl_absorpt_coefficient_mu    2.684
_exptl_crystal_density_diffrn    1.554
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1538
_refine_diff_density_max         1.100
_refine_diff_density_min         -0.533
_refine_diff_density_rms         0.117
_refine_ls_extinction_coef       0.00058(12)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.935
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     741
_refine_ls_number_reflns         14289
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.935
_refine_ls_R_factor_all          0.0657
_refine_ls_R_factor_gt           0.0409
_refine_ls_shift/su_max          1.187
_refine_ls_shift/su_mean         0.090
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0643P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1050
_refine_ls_wR_factor_ref         0.1133
_reflns_number_gt                9744
_reflns_number_total             14289
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic000291c_2.cif
_cod_data_source_block           d:\data\wy0081w\work\wy0081wm
_cod_database_code               4321536
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
loop_
_atom_site_label
_atom_site_type_symbol
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
C10 C 1.2466(6) 0.6108(5) 0.4422(3) 0.107(2) Uani 1 1 d . . .
H10 H 1.3059 0.6066 0.4765 0.129 Uiso 1 1 calc R . .
C9 C 1.1438(6) 0.5409(5) 0.4352(3) 0.097(2) Uani 1 1 d . . .
H9 H 1.1330 0.4880 0.4641 0.116 Uiso 1 1 calc R . .
C11 C 1.2641(5) 0.6886(5) 0.3987(4) 0.098(2) Uani 1 1 d . . .
H11 H 1.3354 0.7354 0.4025 0.118 Uiso 1 1 calc R . .
C46 C 0.9631(8) 1.2809(5) 0.4660(4) 0.105(3) Uani 1 1 d . . .
H46 H 0.9418 1.2993 0.5052 0.126 Uiso 1 1 calc R . .
Ru1 Ru 0.91682(2) 0.90330(2) 0.262296(15) 0.03400(9) Uani 1 1 d . . .
Se4 Se 0.93011(3) 1.06759(3) 0.20665(2) 0.04310(11) Uani 1 1 d . . .
Se1 Se 0.89710(4) 0.74733(3) 0.32842(2) 0.04965(12) Uani 1 1 d . . .
Se2 Se 0.86942(4) 0.82501(3) 0.13819(2) 0.04409(11) Uani 1 1 d . . .
Se3 Se 1.12474(4) 0.92305(3) 0.27011(2) 0.04848(12) Uani 1 1 d . . .
P5 P 0.73449(9) 0.87581(8) 0.26245(5) 0.0401(2) Uani 1 1 d . . .
P4 P 1.06790(9) 1.18582(8) 0.27429(5) 0.0393(2) Uani 1 1 d . . .
P1 P 0.95518(9) 0.64260(8) 0.27870(5) 0.0414(2) Uani 1 1 d . . .
P2 P 0.95337(9) 0.71444(7) 0.13835(5) 0.0380(2) Uani 1 1 d . . .
P3 P 1.22235(9) 1.08138(8) 0.27446(5) 0.0406(2) Uani 1 1 d . . .
N2 N 1.1788(3) 1.1610(2) 0.30666(17) 0.0475(8) Uani 1 1 d . . .
N1 N 1.0016(3) 0.6757(2) 0.21042(16) 0.0406(8) Uani 1 1 d . . .
C37 C 1.0966(3) 1.2966(3) 0.2254(2) 0.0399(9) Uani 1 1 d . . .
C61 C 0.6229(3) 0.7513(3) 0.2350(2) 0.0476(10) Uani 1 1 d . . .
C19 C 1.0723(3) 0.7618(3) 0.0981(2) 0.0412(9) Uani 1 1 d . . .
C13 C 0.8587(3) 0.6064(3) 0.0787(2) 0.0425(9) Uani 1 1 d . . .
C55 C 0.7208(3) 0.8999(3) 0.3521(2) 0.0480(10) Uani 1 1 d . . .
C24 C 1.0575(4) 0.7970(3) 0.0311(2) 0.0534(11) Uani 1 1 d . . .
H24 H 0.9874 0.7964 0.0078 0.064 Uiso 1 1 calc R . .
C49 C 0.6604(3) 0.9500(3) 0.2087(2) 0.0441(9) Uani 1 1 d . . .
C7 C 1.0701(4) 0.6260(3) 0.3420(2) 0.0456(10) Uani 1 1 d . . .
C25 C 1.3579(3) 1.1008(3) 0.3335(2) 0.0452(10) Uani 1 1 d . . .
C18 C 0.9005(4) 0.5333(3) 0.0600(2) 0.0511(11) Uani 1 1 d . . .
H18 H 0.9766 0.5445 0.0738 0.061 Uiso 1 1 calc R . .
C12 C 1.1754(4) 0.6959(4) 0.3500(3) 0.0703(14) Uani 1 1 d . . .
H12 H 1.1867 0.7494 0.3217 0.084 Uiso 1 1 calc R . .
C31 C 1.2533(4) 1.1165(3) 0.1893(2) 0.0470(10) Uani 1 1 d . . .
C40 C 1.1494(4) 1.4668(3) 0.1535(3) 0.0578(12) Uani 1 1 d . . .
H40 H 1.1665 1.5242 0.1290 0.069 Uiso 1 1 calc R . .
C20 C 1.1772(4) 0.7642(3) 0.1319(2) 0.0539(11) Uani 1 1 d . . .
H20 H 1.1882 0.7418 0.1766 0.065 Uiso 1 1 calc R . .
C56 C 0.7632(4) 0.9980(4) 0.3835(2) 0.0571(12) Uani 1 1 d . . .
H56 H 0.7885 1.0516 0.3567 0.068 Uiso 1 1 calc R . .
C43 C 1.0258(4) 1.2244(3) 0.3502(2) 0.0479(10) Uani 1 1 d . . .
C1 C 0.8460(4) 0.5187(3) 0.2636(3) 0.0557(12) Uani 1 1 d . . .
C8 C 1.0542(5) 0.5475(4) 0.3849(2) 0.0648(13) Uani 1 1 d . . .
H8 H 0.9835 0.4992 0.3802 0.078 Uiso 1 1 calc R . .
C60 C 0.6833(4) 0.8208(4) 0.3930(2) 0.0633(13) Uani 1 1 d . . .
H60 H 0.6561 0.7548 0.3729 0.076 Uiso 1 1 calc R . .
C54 C 0.6003(4) 1.0018(3) 0.2331(3) 0.0601(12) Uani 1 1 d . . .
H54 H 0.6013 1.0061 0.2808 0.072 Uiso 1 1 calc R . .
C44 C 0.9283(4) 1.2450(3) 0.3415(3) 0.0640(13) Uani 1 1 d . . .
H44 H 0.8838 1.2397 0.2968 0.077 Uiso 1 1 calc R . .
C66 C 0.6417(4) 0.6716(4) 0.2072(3) 0.0615(12) Uani 1 1 d . . .
H66 H 0.7139 0.6780 0.2041 0.074 Uiso 1 1 calc R . .
C17 C 0.8307(5) 0.4450(3) 0.0215(2) 0.0619(13) Uani 1 1 d . . .
H17 H 0.8598 0.3969 0.0100 0.074 Uiso 1 1 calc R . .
C23 C 1.1478(5) 0.8328(4) -0.0002(3) 0.0675(14) Uani 1 1 d . . .
H23 H 1.1382 0.8564 -0.0445 0.081 Uiso 1 1 calc R . .
C42 C 1.1225(5) 1.3908(3) 0.2583(3) 0.0672(15) Uani 1 1 d . . .
H42 H 1.1236 1.3978 0.3059 0.081 Uiso 1 1 calc R . .
C14 C 0.7463(4) 0.5882(4) 0.0568(3) 0.0645(13) Uani 1 1 d . . .
H14 H 0.7161 0.6356 0.0682 0.077 Uiso 1 1 calc R . .
C33 C 1.2091(6) 1.0941(5) 0.0634(3) 0.094(2) Uani 1 1 d . . .
H33 H 1.1652 1.0563 0.0219 0.113 Uiso 1 1 calc R . .
C38 C 1.1004(4) 1.2901(3) 0.1557(2) 0.0637(14) Uani 1 1 d . . .
H38 H 1.0847 1.2273 0.1328 0.076 Uiso 1 1 calc R . .
C39 C 1.1269(5) 1.3741(3) 0.1196(3) 0.0708(15) Uani 1 1 d . . .
H39 H 1.1297 1.3687 0.0727 0.085 Uiso 1 1 calc R . .
C45 C 0.8960(6) 1.2737(4) 0.3998(4) 0.090(2) Uani 1 1 d . . .
H45 H 0.8301 1.2879 0.3941 0.108 Uiso 1 1 calc R . .
C22 C 1.2504(5) 0.8333(4) 0.0340(3) 0.0684(14) Uani 1 1 d . . .
H22 H 1.3104 0.8566 0.0125 0.082 Uiso 1 1 calc R . .
C51 C 0.5938(4) 0.9902(4) 0.0925(3) 0.0702(14) Uani 1 1 d . . .
H51 H 0.5914 0.9861 0.0447 0.084 Uiso 1 1 calc R . .
C32 C 1.1897(5) 1.0598(4) 0.1282(2) 0.0704(15) Uani 1 1 d . . .
H32 H 1.1337 0.9987 0.1297 0.084 Uiso 1 1 calc R . .
C63 C 0.4285(5) 0.6503(5) 0.2170(4) 0.0895(19) Uani 1 1 d . . .
H63 H 0.3562 0.6432 0.2203 0.107 Uiso 1 1 calc R . .
C50 C 0.6552(4) 0.9444(4) 0.1369(2) 0.0570(11) Uani 1 1 d . . .
H50 H 0.6937 0.9091 0.1189 0.068 Uiso 1 1 calc R . .
C57 C 0.7686(4) 1.0173(5) 0.4546(3) 0.0704(15) Uani 1 1 d . . .
H57 H 0.7983 1.0830 0.4754 0.085 Uiso 1 1 calc R . .
C16 C 0.7200(5) 0.4278(4) 0.0003(3) 0.0742(16) Uani 1 1 d . . .
H16 H 0.6732 0.3678 -0.0256 0.089 Uiso 1 1 calc R . .
C41 C 1.1470(5) 1.4754(3) 0.2207(3) 0.0790(18) Uani 1 1 d . . .
H41 H 1.1618 1.5386 0.2428 0.095 Uiso 1 1 calc R . .
C6 C 0.8511(5) 0.4474(4) 0.2178(3) 0.0739(15) Uani 1 1 d . . .
H6 H 0.9101 0.4628 0.1953 0.089 Uiso 1 1 calc R . .
C53 C 0.5384(4) 1.0476(4) 0.1871(3) 0.0729(15) Uani 1 1 d . . .
H53 H 0.4985 1.0823 0.2043 0.087 Uiso 1 1 calc R . .
C15 C 0.6769(5) 0.4978(4) 0.0168(3) 0.0883(19) Uani 1 1 d . . .
H15 H 0.6008 0.4859 0.0015 0.106 Uiso 1 1 calc R . .
C21 C 1.2665(4) 0.7998(4) 0.0999(3) 0.0691(14) Uani 1 1 d . . .
H21 H 1.3370 0.8011 0.1230 0.083 Uiso 1 1 calc R . .
C48 C 1.0932(5) 1.2348(3) 0.4168(2) 0.0643(13) Uani 1 1 d . . .
H48 H 1.1610 1.2240 0.4225 0.077 Uiso 1 1 calc R . .
C36 C 1.3359(5) 1.2057(4) 0.1853(3) 0.0737(15) Uani 1 1 d . . .
H36 H 1.3788 1.2454 0.2264 0.088 Uiso 1 1 calc R . .
C52 C 0.5357(5) 1.0421(4) 0.1178(3) 0.0780(16) Uani 1 1 d . . .
H52 H 0.4946 1.0734 0.0874 0.094 Uiso 1 1 calc R . .
C62 C 0.5148(4) 0.7407(4) 0.2404(3) 0.0699(14) Uani 1 1 d . . .
H62 H 0.5006 0.7941 0.2597 0.084 Uiso 1 1 calc R . .
N3 N 0.9819(3) 0.9750(2) 0.36936(15) 0.0418(8) Uani 1 1 d . . .
H3A H 0.9887 1.0398 0.3690 0.063 Uiso 1 1 calc R . .
H3B H 1.0484 0.9698 0.3866 0.063 Uiso 1 1 calc R . .
H3C H 0.9350 0.9447 0.3961 0.063 Uiso 1 1 calc R . .
C30 C 1.4173(4) 1.1931(4) 0.3705(3) 0.0708(14) Uani 1 1 d . . .
H30 H 1.3897 1.2459 0.3637 0.085 Uiso 1 1 calc R . .
C26 C 1.3986(4) 1.0218(4) 0.3448(3) 0.0636(13) Uani 1 1 d . . .
H26 H 1.3589 0.9591 0.3202 0.076 Uiso 1 1 calc R . .
C27 C 1.4983(4) 1.0366(5) 0.3927(3) 0.0804(16) Uani 1 1 d . . .
H27 H 1.5260 0.9839 0.4006 0.096 Uiso 1 1 calc R . .
C65 C 0.5550(5) 0.5804(4) 0.1832(3) 0.0800(17) Uani 1 1 d . . .
H65 H 0.5695 0.5273 0.1638 0.096 Uiso 1 1 calc R . .
C28 C 1.5564(5) 1.1300(5) 0.4287(3) 0.0857(18) Uani 1 1 d . . .
H28 H 1.6233 1.1400 0.4609 0.103 Uiso 1 1 calc R . .
C64 C 0.4498(5) 0.5697(4) 0.1883(3) 0.0897(19) Uani 1 1 d . . .
H64 H 0.3918 0.5089 0.1727 0.108 Uiso 1 1 calc R . .
C58 C 0.7288(5) 0.9370(6) 0.4935(3) 0.0852(18) Uani 1 1 d . . .
H58 H 0.7310 0.9491 0.5407 0.102 Uiso 1 1 calc R . .
C29 C 1.5171(5) 1.2078(5) 0.4176(3) 0.0886(18) Uani 1 1 d . . .
H29 H 1.5575 1.2707 0.4417 0.106 Uiso 1 1 calc R . .
C34 C 1.2924(6) 1.1829(5) 0.0613(3) 0.0908(19) Uani 1 1 d . . .
H34 H 1.3047 1.2056 0.0182 0.109 Uiso 1 1 calc R . .
C35 C 1.3565(6) 1.2377(5) 0.1208(3) 0.095(2) Uani 1 1 d . . .
H35 H 1.4147 1.2971 0.1190 0.114 Uiso 1 1 calc R . .
C59 C 0.6859(5) 0.8388(5) 0.4631(3) 0.0836(17) Uani 1 1 d . . .
H59 H 0.6591 0.7854 0.4896 0.100 Uiso 1 1 calc R . .
C47 C 1.0605(7) 1.2612(4) 0.4743(3) 0.090(2) Uani 1 1 d . . .
H47 H 1.1048 1.2655 0.5190 0.108 Uiso 1 1 calc R . .
C5 C 0.7696(7) 0.3530(4) 0.2048(4) 0.113(3) Uani 1 1 d . . .
H5 H 0.7731 0.3055 0.1730 0.136 Uiso 1 1 calc R . .
C2 C 0.7601(6) 0.4939(4) 0.2970(4) 0.113(3) Uani 1 1 d . . .
H2 H 0.7545 0.5406 0.3285 0.135 Uiso 1 1 calc R . .
C3 C 0.6804(7) 0.3968(6) 0.2833(7) 0.164(5) Uani 1 1 d . . .
H3 H 0.6224 0.3793 0.3068 0.196 Uiso 1 1 calc R . .
C4 C 0.6847(7) 0.3297(6) 0.2385(6) 0.148(4) Uani 1 1 d . . .
H4 H 0.6295 0.2662 0.2297 0.178 Uiso 1 1 calc R . .
Cl1 Cl 0.6106(5) 0.5497(4) 0.4430(4) 0.352(3) Uani 1 1 d . . .
Cl2 Cl 0.4021(6) 0.4479(4) 0.3662(5) 0.432(5) Uani 1 1 d . . .
C67 C 0.5029(13) 0.5498(11) 0.3815(9) 0.399(16) Uani 1 1 d . . .
H67A H 0.4768 0.6023 0.3951 0.479 Uiso 1 1 calc R . .
H67B H 0.5279 0.5670 0.3384 0.479 Uiso 1 1 calc R . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 0.0016 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
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'
P P 0.1023 0.0942 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.1484 0.1585 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_geom_angle_atom_site_label_1
_geom_angle_atom_site_label_2
_geom_angle_atom_site_label_3
_geom_angle
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
C9 C10 C11 120.4(5) . . ?
C10 C9 C8 120.3(6) . . ?
C12 C11 C10 119.2(6) . . ?
C45 C46 C47 120.4(5) . . ?
N3 Ru1 P5 95.01(9) . . ?
N3 Ru1 Se2 172.11(9) . . ?
P5 Ru1 Se2 92.87(3) . . ?
N3 Ru1 Se1 80.90(8) . . ?
P5 Ru1 Se1 86.70(3) . . ?
Se2 Ru1 Se1 99.767(17) . . ?
N3 Ru1 Se4 94.18(8) . . ?
P5 Ru1 Se4 89.92(3) . . ?
Se2 Ru1 Se4 85.632(16) . . ?
Se1 Ru1 Se4 173.756(18) . . ?
N3 Ru1 Se3 83.16(9) . . ?
P5 Ru1 Se3 174.99(3) . . ?
Se2 Ru1 Se3 88.994(16) . . ?
Se1 Ru1 Se3 88.403(17) . . ?
Se4 Ru1 Se3 94.864(16) . . ?
P4 Se4 Ru1 106.95(3) . . ?
P1 Se1 Ru1 111.08(3) . . ?
P2 Se2 Ru1 107.48(3) . . ?
P3 Se3 Ru1 109.14(3) . . ?
C55 P5 C49 104.19(19) . . ?
C55 P5 C61 101.5(2) . . ?
C49 P5 C61 96.24(19) . . ?
C55 P5 Ru1 109.90(14) . . ?
C49 P5 Ru1 119.49(13) . . ?
C61 P5 Ru1 122.66(14) . . ?
N2 P4 C37 112.17(18) . . ?
N2 P4 C43 104.9(2) . . ?
C37 P4 C43 103.79(18) . . ?
N2 P4 Se4 117.44(13) . . ?
C37 P4 Se4 106.60(13) . . ?
C43 P4 Se4 111.19(15) . . ?
N1 P1 C7 105.81(19) . . ?
N1 P1 C1 112.0(2) . . ?
C7 P1 C1 104.8(2) . . ?
N1 P1 Se1 116.96(12) . . ?
C7 P1 Se1 107.69(13) . . ?
C1 P1 Se1 108.76(17) . . ?
N1 P2 C19 104.40(18) . . ?
N1 P2 C13 109.22(17) . . ?
C19 P2 C13 103.57(17) . . ?
N1 P2 Se2 120.43(12) . . ?
C19 P2 Se2 110.45(13) . . ?
C13 P2 Se2 107.52(14) . . ?
N2 P3 C31 110.41(19) . . ?
N2 P3 C25 103.67(18) . . ?
C31 P3 C25 105.29(19) . . ?
N2 P3 Se3 118.04(14) . . ?
C31 P3 Se3 111.24(14) . . ?
C25 P3 Se3 107.07(14) . . ?
P3 N2 P4 127.2(2) . . ?
P1 N1 P2 133.8(2) . . ?
C42 C37 C38 118.0(4) . . ?
C42 C37 P4 120.6(3) . . ?
C38 C37 P4 121.2(3) . . ?
C66 C61 C62 118.9(4) . . ?
C66 C61 P5 122.7(3) . . ?
C62 C61 P5 118.3(4) . . ?
C20 C19 C24 119.0(4) . . ?
C20 C19 P2 121.5(3) . . ?
C24 C19 P2 119.5(3) . . ?
C14 C13 C18 118.1(4) . . ?
C14 C13 P2 123.2(3) . . ?
C18 C13 P2 118.3(3) . . ?
C60 C55 C56 118.6(4) . . ?
C60 C55 P5 121.0(4) . . ?
C56 C55 P5 119.7(3) . . ?
C23 C24 C19 119.9(5) . . ?
C54 C49 C50 117.7(4) . . ?
C54 C49 P5 125.0(3) . . ?
C50 C49 P5 117.0(3) . . ?
C12 C7 C8 118.7(4) . . ?
C12 C7 P1 119.2(3) . . ?
C8 C7 P1 122.0(4) . . ?
C30 C25 C26 119.4(4) . . ?
C30 C25 P3 119.7(4) . . ?
C26 C25 P3 120.7(3) . . ?
C17 C18 C13 121.0(5) . . ?
C11 C12 C7 121.5(5) . . ?
C36 C31 C32 118.7(4) . . ?
C36 C31 P3 119.6(3) . . ?
C32 C31 P3 121.5(4) . . ?
C41 C40 C39 120.7(4) . . ?
C21 C20 C19 120.5(5) . . ?
C57 C56 C55 121.0(5) . . ?
C44 C43 C48 119.7(4) . . ?
C44 C43 P4 120.3(4) . . ?
C48 C43 P4 120.0(4) . . ?
C2 C1 C6 118.6(5) . . ?
C2 C1 P1 122.3(4) . . ?
C6 C1 P1 119.1(4) . . ?
C7 C8 C9 119.9(5) . . ?
C59 C60 C55 121.1(5) . . ?
C49 C54 C53 120.7(5) . . ?
C43 C44 C45 120.1(6) . . ?
C61 C66 C65 121.6(5) . . ?
C16 C17 C18 120.4(5) . . ?
C22 C23 C24 119.9(5) . . ?
C37 C42 C41 120.1(4) . . ?
C13 C14 C15 119.8(5) . . ?
C34 C33 C32 120.0(5) . . ?
C39 C38 C37 121.3(4) . . ?
C38 C39 C40 119.3(5) . . ?
C46 C45 C44 119.2(6) . . ?
C23 C22 C21 120.9(5) . . ?
C52 C51 C50 120.7(5) . . ?
C31 C32 C33 119.9(5) . . ?
C62 C63 C64 120.2(5) . . ?
C51 C50 C49 120.7(5) . . ?
C58 C57 C56 118.9(5) . . ?
C17 C16 C15 120.2(4) . . ?
C40 C41 C42 120.5(4) . . ?
C1 C6 C5 120.7(6) . . ?
C52 C53 C54 120.6(5) . . ?
C16 C15 C14 120.6(5) . . ?
C20 C21 C22 119.8(5) . . ?
C43 C48 C47 120.2(6) . . ?
C31 C36 C35 121.0(5) . . ?
C53 C52 C51 119.7(5) . . ?
C63 C62 C61 119.8(5) . . ?
C25 C30 C29 120.6(5) . . ?
C27 C26 C25 119.8(5) . . ?
C28 C27 C26 119.5(5) . . ?
C64 C65 C66 119.8(5) . . ?
C29 C28 C27 120.9(5) . . ?
C65 C64 C63 119.8(5) . . ?
C57 C58 C59 120.9(5) . . ?
C28 C29 C30 119.8(5) . . ?
C35 C34 C33 120.5(5) . . ?
C34 C35 C36 119.9(6) . . ?
C60 C59 C58 119.5(5) . . ?
C46 C47 C48 120.2(6) . . ?
C4 C5 C6 119.9(8) . . ?
C1 C2 C3 118.9(7) . . ?
C4 C3 C2 122.2(9) . . ?
C3 C4 C5 119.8(8) . . ?
Cl2 C67 Cl1 115.1(10) . . ?
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
C10 C9 1.351(9) . ?
C10 C11 1.382(9) . ?
C9 C8 1.390(7) . ?
C11 C12 1.369(7) . ?
C46 C45 1.384(10) . ?
C46 C47 1.367(10) . ?
Ru1 N3 2.185(3) . ?
Ru1 P5 2.2775(11) . ?
Ru1 Se2 2.5226(5) . ?
Ru1 Se1 2.5284(5) . ?
Ru1 Se4 2.5390(5) . ?
Ru1 Se3 2.6017(5) . ?
Se4 P4 2.1738(11) . ?
Se1 P1 2.1787(11) . ?
Se2 P2 2.1870(11) . ?
Se3 P3 2.1620(11) . ?
P5 C55 1.839(4) . ?
P5 C49 1.845(4) . ?
P5 C61 1.855(4) . ?
P4 N2 1.603(3) . ?
P4 C37 1.811(4) . ?
P4 C43 1.826(4) . ?
P1 N1 1.589(3) . ?
P1 C7 1.814(4) . ?
P1 C1 1.823(4) . ?
P2 N1 1.596(3) . ?
P2 C19 1.816(4) . ?
P2 C13 1.821(4) . ?
P3 N2 1.598(3) . ?
P3 C31 1.827(4) . ?
P3 C25 1.828(4) . ?
C37 C42 1.376(5) . ?
C37 C38 1.377(6) . ?
C61 C66 1.362(6) . ?
C61 C62 1.395(6) . ?
C19 C20 1.378(6) . ?
C19 C24 1.402(6) . ?
C13 C14 1.371(6) . ?
C13 C18 1.398(6) . ?
C55 C60 1.392(6) . ?
C55 C56 1.391(6) . ?
C24 C23 1.387(6) . ?
C49 C54 1.384(6) . ?
C49 C50 1.391(6) . ?
C7 C12 1.372(6) . ?
C7 C8 1.381(6) . ?
C25 C30 1.378(6) . ?
C25 C26 1.388(6) . ?
C18 C17 1.374(6) . ?
C31 C36 1.372(6) . ?
C31 C32 1.372(6) . ?
C40 C41 1.327(7) . ?
C40 C39 1.374(6) . ?
C20 C21 1.383(6) . ?
C56 C57 1.397(6) . ?
C43 C44 1.373(6) . ?
C43 C48 1.385(6) . ?
C1 C2 1.361(7) . ?
C1 C6 1.370(7) . ?
C60 C59 1.383(7) . ?
C54 C53 1.389(7) . ?
C44 C45 1.396(7) . ?
C66 C65 1.396(6) . ?
C17 C16 1.352(7) . ?
C23 C22 1.362(8) . ?
C42 C41 1.388(7) . ?
C14 C15 1.405(6) . ?
C33 C34 1.365(8) . ?
C33 C32 1.401(7) . ?
C38 C39 1.366(6) . ?
C22 C21 1.375(7) . ?
C51 C52 1.372(7) . ?
C51 C50 1.371(6) . ?
C63 C62 1.385(7) . ?
C63 C64 1.399(8) . ?
C57 C58 1.386(8) . ?
C16 C15 1.357(7) . ?
C6 C5 1.379(8) . ?
C53 C52 1.348(7) . ?
C48 C47 1.374(7) . ?
C36 C35 1.392(7) . ?
C30 C29 1.377(7) . ?
C26 C27 1.384(7) . ?
C27 C28 1.379(8) . ?
C65 C64 1.354(8) . ?
C28 C29 1.361(8) . ?
C58 C59 1.385(8) . ?
C34 C35 1.340(8) . ?
C5 C4 1.354(11) . ?
C2 C3 1.398(9) . ?
C3 C4 1.309(13) . ?
Cl1 C67 1.646(14) . ?
Cl2 C67 1.565(11) . ?
