#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/95/4319580.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_4319580
loop_
_publ_author_name
'Kumiko Yoshioka'
'Hayato Kikuchi'
'Jun Mizutani'
'Kazuko Matsumoto'
_publ_section_title
;
 Redox-Associated η1 to η2 Conversion of Disulfide Ligands in Dinuclear
 Ruthenium Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2234
_journal_page_last               2239
_journal_paper_doi               10.1021/ic000392a
_journal_volume                  40
_journal_year                    2001
_chemical_formula_sum            'C18 H45 Br4 N3 O12 P4 Ru2 S2 Zn'
_chemical_formula_weight         1270.72
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                102.96(2)
_cell_angle_beta                 102.02(2)
_cell_angle_gamma                109.10(2)
_cell_formula_units_Z            2
_cell_length_a                   15.943(4)
_cell_length_b                   17.703(4)
_cell_length_c                   8.883(1)
_cell_measurement_reflns_used    15
_cell_measurement_temperature    223.2
_cell_measurement_theta_max      12.1
_cell_measurement_theta_min      10.1
_cell_volume                     2198.1(9)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan Ver. 1.10'
_computing_publication_material  'teXsan Ver. 1.10'
_computing_structure_refinement  'teXsan Ver. 1.10'
_computing_structure_solution    SHELXS86
_diffrn_measurement_device_type  'Rigaku AFC7R'
_diffrn_measurement_method       ω-2θ
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.021
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       0
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6914
_diffrn_standards_decay_%        13.88
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    5.154
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.489
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details   '(North, Phillips & Mathews, 1968)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.920
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.200
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.95
_refine_diff_density_min         -0.85
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.158
_refine_ls_number_parameters     433
_refine_ls_number_reflns         4280
_refine_ls_R_factor_gt           0.0506
_refine_ls_shift/su_max          0.0030
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00133|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0750
_reflns_number_gt                3985
_reflns_number_total             0
_reflns_threshold_expression     F²>2.0σ(F²)
_cod_data_source_file            ic000392a_2.cif
_cod_data_source_block           C18H45Br4N3O12P4S2Ru2Zn
_cod_original_cell_volume        2198(1)
_cod_original_sg_symbol_H-M      'P -1         '
_cod_original_formula_sum        'C18 H45 Br4 N3 O12 P4 S2 Ru2 Zn '
_cod_database_code               4319580
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
Ru(1) Ru -0.19251(7) 0.13096(6) -0.0762(1) 0.0225(3) Uani 1.00 d . . .
Ru(2) Ru 0.03256(7) 0.25515(6) 0.1864(1) 0.0232(3) Uani 1.00 d . . .
Br(1) Br -0.04247(9) 0.22517(8) -0.1242(1) 0.0366(4) Uani 1.00 d . . .
Br(2) Br 0.6915(1) 0.4037(1) 0.1061(2) 0.0697(6) Uani 1.00 d . . .
Br(3) Br 0.4265(1) 0.2831(1) -0.1571(2) 0.0736(6) Uani 1.00 d . . .
Br(4) Br 0.5022(1) 0.2873(1) 0.3027(2) 0.0627(6) Uani 1.00 d . . .
Zn Zn 0.5347(1) 0.3544(1) 0.1063(2) 0.0482(5) Uani 1.00 d . . .
S(1) S -0.0940(2) 0.1179(2) 0.1453(3) 0.0259(8) Uani 1.00 d . . .
S(2) S -0.1183(2) 0.2259(2) 0.2109(3) 0.0288(9) Uani 1.00 d . . .
P(1) P -0.2159(2) 0.0260(2) -0.2933(4) 0.0294(9) Uani 1.00 d . . .
P(2) P -0.3186(2) 0.0618(2) -0.0202(4) 0.0261(9) Uani 1.00 d . . .
P(3) P 0.1001(3) 0.3918(2) 0.2174(4) 0.0366(10) Uani 1.00 d . . .
P(4) P 0.0945(3) 0.2688(2) 0.4435(4) 0.0357(10) Uani 1.00 d . . .
O(1) O -0.2611(7) 0.0288(6) -0.4696(10) 0.045(3) Uani 1.00 d . . .
O(2) O -0.2850(6) -0.0654(5) -0.3031(10) 0.040(3) Uani 1.00 d . . .
O(3) O -0.1249(6) 0.0124(6) -0.3249(10) 0.039(3) Uani 1.00 d . . .
O(4) O -0.4185(6) 0.0360(6) -0.142(1) 0.043(3) Uani 1.00 d . . .
O(5) O -0.3192(6) -0.0191(5) 0.0275(10) 0.034(3) Uani 1.00 d . . .
O(6) O -0.3357(6) 0.1121(5) 0.136(1) 0.038(3) Uani 1.00 d . . .
O(7) O 0.0424(7) 0.4295(6) 0.112(1) 0.051(3) Uani 1.00 d . . .
O(8) O 0.1343(8) 0.4536(6) 0.397(1) 0.054(3) Uani 1.00 d . . .
O(9) O 0.1940(7) 0.4233(6) 0.171(1) 0.052(3) Uani 1.00 d . . .
O(10) O 0.0816(9) 0.1809(6) 0.461(1) 0.065(4) Uani 1.00 d . . .
O(11a) O 0.209(2) 0.290(2) 0.494(2) 0.068(8) Uani 0.50 d P . .
O(11b) O 0.190(1) 0.344(1) 0.568(2) 0.050(6) Uani 0.50 d P . .
O(12a) O 0.094(2) 0.330(2) 0.594(2) 0.060(8) Uani 0.50 d P . .
O(12b) O 0.028(2) 0.284(1) 0.567(2) 0.039(6) Uani 0.50 d P . .
N(1) N -0.2642(7) 0.1849(6) -0.202(1) 0.028(3) Uani 1.00 d . . .
N(2) N 0.1355(7) 0.2236(6) 0.124(1) 0.032(3) Uani 1.00 d . . .
N(3) N 0.502(1) 0.456(1) 0.182(2) 0.077(6) Uani 1.00 d . . .
C(1) C -0.208(1) 0.096(1) -0.527(2) 0.067(6) Uani 1.00 d . . .
C(2) C -0.308(1) -0.1388(10) -0.438(2) 0.067(5) Uani 1.00 d . . .
C(3) C -0.0572(10) 0.0049(9) -0.202(2) 0.047(5) Uani 1.00 d . . .
C(4) C -0.458(1) -0.025(1) -0.307(2) 0.085(7) Uani 1.00 d . . .
C(5) C -0.3946(10) -0.0681(9) 0.084(2) 0.049(5) Uani 1.00 d . . .
C(6) C -0.346(1) 0.1920(9) 0.141(2) 0.050(5) Uani 1.00 d . . .
C(7) C -0.055(1) 0.4161(10) 0.101(2) 0.058(5) Uani 1.00 d . . .
C(8) C 0.181(1) 0.5439(8) 0.434(2) 0.066(5) Uani 1.00 d . . .
C(9) C 0.197(1) 0.3935(10) 0.000(2) 0.060(5) Uani 1.00 d . . .
C(10) C 0.111(1) 0.167(1) 0.615(2) 0.069(6) Uani 1.00 d . . .
C(11) C 0.277(1) 0.363(1) 0.528(3) 0.099(8) Uani 1.00 d . . .
C(12) C 0.021(1) 0.360(1) 0.606(2) 0.059(6) Uani 1.00 d . . .
C(13) C -0.308(1) 0.2182(10) -0.259(2) 0.044(4) Uani 1.00 d . . .
C(14) C -0.363(1) 0.260(1) -0.332(2) 0.081(7) Uani 1.00 d . . .
C(15) C 0.1857(10) 0.1974(9) 0.079(2) 0.038(4) Uani 1.00 d . . .
C(16) C 0.248(1) 0.162(1) 0.019(2) 0.054(5) Uani 1.00 d . . .
C(17) C 0.467(1) 0.498(1) 0.230(2) 0.068(6) Uani 1.00 d . . .
C(18) C 0.423(1) 0.553(1) 0.303(2) 0.074(7) Uani 1.00 d . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H H 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
O O 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N N 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru Ru -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
S S 0.125 0.123
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P P 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Br Br -0.290 2.459
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Zn Zn 0.284 1.430
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
Br(1) Ru(1) S(1) 87.60(8) . 1_555 1_555 yes
Br(1) Ru(1) S(2) 84.50(8) . 1_555 1_555 yes
Br(1) Ru(1) P(1) 90.37(9) . 1_555 1_555 yes
Br(1) Ru(1) P(2) 174.84(10) . 1_555 1_555 yes
Br(1) Ru(1) N(1) 88.1(3) . 1_555 1_555 yes
S(1) Ru(1) S(2) 50.0(1) . 1_555 1_555 yes
S(1) Ru(1) P(1) 106.9(1) . 1_555 1_555 yes
S(1) Ru(1) P(2) 92.1(1) . 1_555 1_555 yes
S(1) Ru(1) N(1) 158.0(3) . 1_555 1_555 yes
S(2) Ru(1) P(1) 156.4(1) . 1_555 1_555 yes
S(2) Ru(1) P(2) 91.4(1) . 1_555 1_555 yes
S(2) Ru(1) N(1) 108.1(3) . 1_555 1_555 yes
P(1) Ru(1) P(2) 94.6(1) . 1_555 1_555 yes
P(1) Ru(1) N(1) 94.7(3) . 1_555 1_555 yes
P(2) Ru(1) N(1) 90.2(3) . 1_555 1_555 yes
Br(1) Ru(2) S(1) 84.62(7) . 1_555 1_555 yes
Br(1) Ru(2) S(2) 87.13(8) . 1_555 1_555 yes
Br(1) Ru(2) P(3) 89.82(10) . 1_555 1_555 yes
Br(1) Ru(2) P(4) 175.0(1) . 1_555 1_555 yes
Br(1) Ru(2) N(2) 86.6(3) . 1_555 1_555 yes
S(1) Ru(2) S(2) 50.1(1) . 1_555 1_555 yes
S(1) Ru(2) P(3) 158.3(1) . 1_555 1_555 yes
S(1) Ru(2) P(4) 91.8(1) . 1_555 1_555 yes
S(1) Ru(2) N(2) 104.5(3) . 1_555 1_555 yes
S(2) Ru(2) P(3) 108.8(1) . 1_555 1_555 yes
S(2) Ru(2) P(4) 93.3(1) . 1_555 1_555 yes
S(2) Ru(2) N(2) 154.4(3) . 1_555 1_555 yes
P(3) Ru(2) P(4) 94.8(1) . 1_555 1_555 yes
P(3) Ru(2) N(2) 96.0(3) . 1_555 1_555 yes
P(4) Ru(2) N(2) 90.9(3) . 1_555 1_555 yes
Ru(1) Br(1) Ru(2) 83.73(4) . 1_555 1_555 yes
Br(2) Zn Br(3) 114.51(10) . 1_555 1_555 yes
Br(2) Zn Br(4) 113.21(10) . 1_555 1_555 yes
Br(2) Zn N(3) 102.1(4) . 1_555 1_555 yes
Br(3) Zn Br(4) 116.05(9) . 1_555 1_555 yes
Br(3) Zn N(3) 100.3(5) . 1_555 1_555 yes
Br(4) Zn N(3) 108.6(5) . 1_555 1_555 yes
Ru(1) S(1) Ru(2) 92.26(10) . 1_555 1_555 yes
Ru(1) S(1) S(2) 68.7(1) . 1_555 1_555 yes
Ru(2) S(1) S(2) 61.6(1) . 1_555 1_555 yes
Ru(1) S(2) Ru(2) 91.9(1) . 1_555 1_555 yes
Ru(1) S(2) S(1) 61.3(1) . 1_555 1_555 yes
Ru(2) S(2) S(1) 68.3(1) . 1_555 1_555 yes
Ru(1) P(1) O(1) 118.9(4) . 1_555 1_555 yes
Ru(1) P(1) O(2) 115.4(3) . 1_555 1_555 yes
Ru(1) P(1) O(3) 117.2(4) . 1_555 1_555 yes
O(1) P(1) O(2) 100.1(5) . 1_555 1_555 yes
O(1) P(1) O(3) 97.8(5) . 1_555 1_555 yes
O(2) P(1) O(3) 104.4(5) . 1_555 1_555 yes
Ru(1) P(2) O(4) 120.0(4) . 1_555 1_555 yes
Ru(1) P(2) O(5) 115.4(3) . 1_555 1_555 yes
Ru(1) P(2) O(6) 115.4(3) . 1_555 1_555 yes
O(4) P(2) O(5) 106.4(5) . 1_555 1_555 yes
O(4) P(2) O(6) 96.7(5) . 1_555 1_555 yes
O(5) P(2) O(6) 99.7(5) . 1_555 1_555 yes
Ru(2) P(3) O(7) 116.9(4) . 1_555 1_555 yes
Ru(2) P(3) O(8) 115.9(4) . 1_555 1_555 yes
Ru(2) P(3) O(9) 117.9(4) . 1_555 1_555 yes
O(7) P(3) O(8) 105.1(6) . 1_555 1_555 yes
O(7) P(3) O(9) 98.8(5) . 1_555 1_555 yes
O(8) P(3) O(9) 99.4(5) . 1_555 1_555 yes
Ru(2) P(4) O(10) 109.6(4) . 1_555 1_555 yes
Ru(2) P(4) O(11a) 113.6(7) . 1_555 1_555 yes
Ru(2) P(4) O(11b) 125.9(8) . 1_555 1_555 yes
Ru(2) P(4) O(12a) 127.8(8) . 1_555 1_555 yes
Ru(2) P(4) O(12b) 114.9(7) . 1_555 1_555 yes
O(10) P(4) O(11a) 86(1) . 1_555 1_555 yes
O(10) P(4) O(11b) 113.8(8) . 1_555 1_555 yes
O(10) P(4) O(12a) 112(1) . 1_555 1_555 yes
O(10) P(4) O(12b) 92.1(8) . 1_555 1_555 yes
O(11a) P(4) O(11b) 42.6(10) . 1_555 1_555 yes
O(11a) P(4) O(12a) 98(1) . 1_555 1_555 yes
O(11a) P(4) O(12b) 129(1) . 1_555 1_555 yes
O(11b) P(4) O(12a) 58(1) . 1_555 1_555 yes
O(11b) P(4) O(12b) 94(1) . 1_555 1_555 yes
O(12a) P(4) O(12b) 36(1) . 1_555 1_555 yes
P(1) O(1) C(1) 118.6(9) . 1_555 1_555 yes
P(1) O(2) C(2) 121.5(9) . 1_555 1_555 yes
P(1) O(3) C(3) 121.9(8) . 1_555 1_555 yes
P(2) O(4) C(4) 126.7(9) . 1_555 1_555 yes
P(2) O(5) C(5) 122.2(8) . 1_555 1_555 yes
P(2) O(6) C(6) 119.5(8) . 1_555 1_555 yes
P(3) O(7) C(7) 122.9(9) . 1_555 1_555 yes
P(3) O(8) C(8) 121.6(9) . 1_555 1_555 yes
P(3) O(9) C(9) 121.9(9) . 1_555 1_555 yes
P(4) O(10) C(10) 124(1) . 1_555 1_555 yes
P(4) O(11a) C(11) 126(2) . 1_555 1_555 yes
P(4) O(11b) C(11) 121(1) . 1_555 1_555 yes
P(4) O(12a) C(12) 125(1) . 1_555 1_555 yes
P(4) O(12b) C(12) 118(1) . 1_555 1_555 yes
Ru(1) N(1) C(13) 173.0(10) . 1_555 1_555 yes
Ru(2) N(2) C(15) 172(1) . 1_555 1_555 yes
Zn N(3) C(17) 162(1) . 1_555 1_555 yes
O(11a) C(11) O(11b) 51(1) . 1_555 1_555 yes
O(12a) C(12) O(12b) 42(1) . 1_555 1_555 yes
N(1) C(13) C(14) 179(1) . 1_555 1_555 yes
N(2) C(15) C(16) 178(1) . 1_555 1_555 yes
N(3) C(17) C(18) 176(2) . 1_555 1_555 yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru(1) Br(1) 2.611(2) . . yes
Ru(1) S(1) 2.355(3) . . yes
Ru(1) S(2) 2.500(3) . . yes
Ru(1) P(1) 2.225(3) . . yes
Ru(1) P(2) 2.206(3) . . yes
Ru(1) N(1) 2.03(1) . . yes
Ru(2) Br(1) 2.623(2) . . yes
Ru(2) S(1) 2.489(3) . . yes
Ru(2) S(2) 2.357(3) . . yes
Ru(2) P(3) 2.227(4) . . yes
Ru(2) P(4) 2.215(3) . . yes
Ru(2) N(2) 2.04(1) . . yes
Br(2) Zn 2.369(2) . . yes
Br(3) Zn 2.372(2) . . yes
Br(4) Zn 2.365(3) . . yes
Zn N(3) 2.05(2) . . yes
S(1) S(2) 2.056(4) . . yes
P(1) O(1) 1.600(9) . . yes
P(1) O(2) 1.604(9) . . yes
P(1) O(3) 1.616(9) . . yes
P(2) O(4) 1.583(9) . . yes
P(2) O(5) 1.580(9) . . yes
P(2) O(6) 1.596(9) . . yes
P(3) O(7) 1.58(1) . . yes
P(3) O(8) 1.579(10) . . yes
P(3) O(9) 1.59(1) . . yes
P(4) O(10) 1.55(1) . . yes
P(4) O(11a) 1.67(2) . . yes
P(4) O(11b) 1.62(2) . . yes
P(4) O(12a) 1.52(2) . . yes
P(4) O(12b) 1.71(2) . . yes
O(1) C(1) 1.48(2) . . yes
O(2) C(2) 1.44(2) . . yes
O(3) C(3) 1.43(2) . . yes
O(4) C(4) 1.47(2) . . yes
O(5) C(5) 1.49(1) . . yes
O(6) C(6) 1.47(2) . . yes
O(7) C(7) 1.46(2) . . yes
O(8) C(8) 1.45(2) . . yes
O(9) C(9) 1.51(2) . . yes
O(10) C(10) 1.46(2) . . yes
O(11a) C(11) 1.32(3) . . yes
O(11b) C(11) 1.45(3) . . yes
O(12a) C(12) 1.45(3) . . yes
O(12b) C(12) 1.36(2) . . yes
N(1) C(13) 1.16(2) . . yes
N(2) C(15) 1.15(2) . . yes
N(3) C(17) 1.13(2) . . yes
C(13) C(14) 1.46(2) . . yes
C(15) C(16) 1.46(2) . . yes
C(17) C(18) 1.48(3) . . yes
loop_
_geom_contact_atom_site_label_1
_geom_contact_atom_site_label_2
_geom_contact_distance
_geom_contact_site_symmetry_1
_geom_contact_site_symmetry_2
_geom_contact_publ_flag
Ru(1) Br(1) 2.611(2) . . ?
Ru(2) Br(1) 2.623(2) . . ?
Br(1) O(12b) 3.42(2) . 1_554 ?
Br(2) C(2) 3.59(1) . 2_554 ?
O(2) C(16) 3.42(2) . 2_555 ?
O(4) C(5) 3.33(2) . 2_455 ?
O(5) C(16) 3.08(2) . 2_555 ?
O(6) C(1) 3.39(2) . 1_556 ?
O(9) C(18) 3.39(2) . . ?
O(10) C(3) 3.42(2) . 2_555 ?
O(11a) C(2) 3.52(4) . 2_555 ?
O(12a) C(9) 3.39(3) . 1_556 ?
C(5) C(16) 3.44(2) . 2_555 ?
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
Ru(1) Br(1) Ru(2) S(1) 23.91(8) 1_555 1_555 1_555 1_555 yes
Ru(1) Br(1) Ru(2) S(2) -26.29(9) 1_555 1_555 1_555 1_555 yes
Ru(1) Br(1) Ru(2) P(3) -135.1(1) 1_555 1_555 1_555 1_555 yes
Ru(1) Br(1) Ru(2) P(4) 68(1) 1_555 1_555 1_555 1_555 yes
Ru(1) Br(1) Ru(2) N(2) 128.9(3) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) Br(1) -26.56(8) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) S(2) 64.2(1) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) P(3) 49.2(3) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) P(4) 157.0(1) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) Ru(2) N(2) -111.6(3) 1_555 1_555 1_555 1_555 yes
Ru(1) S(1) S(2) Ru(2) -105.02(9) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) Br(1) 27.39(8) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) S(1) -58.0(1) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) P(3) 116.2(1) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) P(4) -147.6(1) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) Ru(2) N(2) -48.6(7) 1_555 1_555 1_555 1_555 yes
Ru(1) S(2) S(1) Ru(2) 105.02(9) 1_555 1_555 1_555 1_555 yes
Ru(1) P(1) O(1) C(1) 65(1) 1_555 1_555 1_555 1_555 yes
Ru(1) P(1) O(2) C(2) 178(1) 1_555 1_555 1_555 1_555 yes
Ru(1) P(1) O(3) C(3) 51(1) 1_555 1_555 1_555 1_555 yes
Ru(1) P(2) O(4) C(4) 66(1) 1_555 1_555 1_555 1_555 yes
Ru(1) P(2) O(5) C(5) 174.0(8) 1_555 1_555 1_555 1_555 yes
Ru(1) P(2) O(6) C(6) 59.5(10) 1_555 1_555 1_555 1_555 yes
Ru(1) N(1) C(13) C(14) 100.2 1_555 1_555 1_555 1_555 yes
Ru(2) Br(1) Ru(1) S(1) -25.27(8) 1_555 1_555 1_555 1_555 yes
Ru(2) Br(1) Ru(1) S(2) 24.77(8) 1_555 1_555 1_555 1_555 yes
Ru(2) Br(1) Ru(1) P(1) -132.15(9) 1_555 1_555 1_555 1_555 yes
Ru(2) Br(1) Ru(1) P(2) 61(1) 1_555 1_555 1_555 1_555 yes
Ru(2) Br(1) Ru(1) N(1) 133.1(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) Br(1) 26.58(8) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) S(2) -58.2(1) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) P(1) 116.2(1) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) P(2) -148.3(1) 1_555 1_555 1_555 1_555 yes
Ru(2) S(1) Ru(1) N(1) -52.5(8) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) Br(1) -27.63(8) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) S(1) 63.9(1) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) P(1) 50.6(3) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) P(2) 155.5(1) 1_555 1_555 1_555 1_555 yes
Ru(2) S(2) Ru(1) N(1) -113.9(3) 1_555 1_555 1_555 1_555 yes
Ru(2) P(3) O(7) C(7) 49(1) 1_555 1_555 1_555 1_555 yes
Ru(2) P(3) O(8) C(8) 178(1) 1_555 1_555 1_555 1_555 yes
Ru(2) P(3) O(9) C(9) 63(1) 1_555 1_555 1_555 1_555 yes
Ru(2) P(4) O(10) C(10) -177(1) 1_555 1_555 1_555 1_555 yes
Ru(2) P(4) O(11a) C(11) 79(2) 1_555 1_555 1_555 1_555 yes
Ru(2) P(4) O(11b) C(11) -54(1) 1_555 1_555 1_555 1_555 yes
Ru(2) P(4) O(12a) C(12) 31(3) 1_555 1_555 1_555 1_555 yes
Ru(2) P(4) O(12b) C(12) -72(1) 1_555 1_555 1_555 1_555 yes
Ru(2) N(2) C(15) C(16) -2(73) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) S(1) S(2) 84.8(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) S(2) S(1) -91.5(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) P(1) O(1) -79.0(4) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) P(1) O(2) 161.9(4) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) P(1) O(3) 38.3(4) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) P(2) O(4) 101(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) P(2) O(5) -129(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) P(2) O(6) -13(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(1) N(1) C(13) -123(8) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) S(1) S(2) -90.8(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) S(2) S(1) 85.4(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) P(3) O(7) 36.4(5) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) P(3) O(8) 161.3(5) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) P(3) O(9) -81.1(4) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) P(4) O(10) -9(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) P(4) O(11a) 84(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) P(4) O(11b) 132(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) P(4) O(12a) -152(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) P(4) O(12b) -111(1) 1_555 1_555 1_555 1_555 yes
Br(1) Ru(2) N(2) C(15) -58(7) 1_555 1_555 1_555 1_555 yes
Br(2) Zn N(3) C(17) 79(5) 1_555 1_555 1_555 1_555 yes
Br(3) Zn N(3) C(17) -38(5) 1_555 1_555 1_555 1_555 yes
Br(4) Zn N(3) C(17) -160(5) 1_555 1_555 1_555 1_555 yes
Zn N(3) C(17) C(18) 77(32) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) P(1) O(1) -166.6(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) P(1) O(2) 74.3(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) P(1) O(3) -49.3(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) P(2) O(4) -172.2(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) P(2) O(5) -42.9(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) P(2) O(6) 72.7(4) 1_555 1_555 1_555 1_555 yes
S(1) Ru(1) N(1) C(13) -44(9) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(3) O(7) -38.4(6) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(3) O(8) 86.5(6) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(3) O(9) -155.9(5) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(4) O(10) 34.4(6) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(4) O(11a) 128(1) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(4) O(11b) 176(1) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(4) O(12a) -108(1) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) P(4) O(12b) -67.6(7) 1_555 1_555 1_555 1_555 yes
S(1) Ru(2) N(2) C(15) 25(7) 1_555 1_555 1_555 1_555 yes
S(1) S(2) Ru(1) P(1) -13.3(3) 1_555 1_555 1_555 1_555 yes
S(1) S(2) Ru(1) P(2) 91.6(1) 1_555 1_555 1_555 1_555 yes
S(1) S(2) Ru(1) N(1) -177.7(3) 1_555 1_555 1_555 1_555 yes
S(1) S(2) Ru(2) P(3) 174.2(1) 1_555 1_555 1_555 1_555 yes
S(1) S(2) Ru(2) P(4) -89.6(1) 1_555 1_555 1_555 1_555 yes
S(1) S(2) Ru(2) N(2) 9.4(7) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) P(1) O(1) -156.0(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) P(1) O(2) 84.9(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) P(1) O(3) -38.7(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) P(2) O(4) 137.8(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) P(2) O(5) -92.9(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) P(2) O(6) 22.7(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(1) N(1) C(13) -39(8) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(3) O(7) -50.5(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(3) O(8) 74.4(5) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(3) O(9) -168.0(4) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(4) O(10) 84.5(6) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(4) O(11a) 178(1) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(4) O(11b) -133(1) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(4) O(12a) -57(1) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) P(4) O(12b) -17.5(7) 1_555 1_555 1_555 1_555 yes
S(2) Ru(2) N(2) C(15) 17(8) 1_555 1_555 1_555 1_555 yes
S(2) S(1) Ru(1) P(1) 174.5(1) 1_555 1_555 1_555 1_555 yes
S(2) S(1) Ru(1) P(2) -90.0(1) 1_555 1_555 1_555 1_555 yes
S(2) S(1) Ru(1) N(1) 5.8(8) 1_555 1_555 1_555 1_555 yes
S(2) S(1) Ru(2) P(3) -15.0(3) 1_555 1_555 1_555 1_555 yes
S(2) S(1) Ru(2) P(4) 92.8(1) 1_555 1_555 1_555 1_555 yes
S(2) S(1) Ru(2) N(2) -175.8(3) 1_555 1_555 1_555 1_555 yes
P(1) Ru(1) P(2) O(4) -65.1(4) 1_555 1_555 1_555 1_555 yes
P(1) Ru(1) P(2) O(5) 64.3(4) 1_555 1_555 1_555 1_555 yes
P(1) Ru(1) P(2) O(6) 179.9(4) 1_555 1_555 1_555 1_555 yes
P(1) Ru(1) N(1) C(13) 146(8) 1_555 1_555 1_555 1_555 yes
P(2) Ru(1) P(1) O(1) 99.8(4) 1_555 1_555 1_555 1_555 yes
P(2) Ru(1) P(1) O(2) -19.3(4) 1_555 1_555 1_555 1_555 yes
P(2) Ru(1) P(1) O(3) -142.9(4) 1_555 1_555 1_555 1_555 yes
P(2) Ru(1) N(1) C(13) 51(8) 1_555 1_555 1_555 1_555 yes
P(3) Ru(2) P(4) O(10) -166.3(6) 1_555 1_555 1_555 1_555 yes
P(3) Ru(2) P(4) O(11a) -71(1) 1_555 1_555 1_555 1_555 yes
P(3) Ru(2) P(4) O(11b) -24(1) 1_555 1_555 1_555 1_555 yes
P(3) Ru(2) P(4) O(12a) 51(1) 1_555 1_555 1_555 1_555 yes
P(3) Ru(2) P(4) O(12b) 91.7(7) 1_555 1_555 1_555 1_555 yes
P(3) Ru(2) N(2) C(15) -147(7) 1_555 1_555 1_555 1_555 yes
P(4) Ru(2) P(3) O(7) -145.5(5) 1_555 1_555 1_555 1_555 yes
P(4) Ru(2) P(3) O(8) -20.7(5) 1_555 1_555 1_555 1_555 yes
P(4) Ru(2) P(3) O(9) 96.9(4) 1_555 1_555 1_555 1_555 yes
P(4) Ru(2) N(2) C(15) 117(7) 1_555 1_555 1_555 1_555 yes
P(4) O(11a) C(11) O(11b) 37(2) 1_555 1_555 1_555 1_555 yes
P(4) O(11b) C(11) O(11a) -35(1) 1_555 1_555 1_555 1_555 yes
P(4) O(12a) C(12) O(12b) 56(2) 1_555 1_555 1_555 1_555 yes
P(4) O(12b) C(12) O(12a) -43(1) 1_555 1_555 1_555 1_555 yes
O(1) P(1) Ru(1) N(1) 9.2(5) 1_555 1_555 1_555 1_555 yes
O(1) P(1) O(2) C(2) 49(1) 1_555 1_555 1_555 1_555 yes
O(1) P(1) O(3) C(3) -179.8(10) 1_555 1_555 1_555 1_555 yes
O(2) P(1) Ru(1) N(1) -109.9(5) 1_555 1_555 1_555 1_555 yes
O(2) P(1) O(1) C(1) -167(1) 1_555 1_555 1_555 1_555 yes
O(2) P(1) O(3) C(3) -77(1) 1_555 1_555 1_555 1_555 yes
O(3) P(1) Ru(1) N(1) 126.4(5) 1_555 1_555 1_555 1_555 yes
O(3) P(1) O(1) C(1) -61(1) 1_555 1_555 1_555 1_555 yes
O(3) P(1) O(2) C(2) -51(1) 1_555 1_555 1_555 1_555 yes
O(4) P(2) Ru(1) N(1) 29.7(5) 1_555 1_555 1_555 1_555 yes
O(4) P(2) O(5) C(5) -50(1) 1_555 1_555 1_555 1_555 yes
O(4) P(2) O(6) C(6) -68.3(10) 1_555 1_555 1_555 1_555 yes
O(5) P(2) Ru(1) N(1) 159.1(4) 1_555 1_555 1_555 1_555 yes
O(5) P(2) O(4) C(4) -66(1) 1_555 1_555 1_555 1_555 yes
O(5) P(2) O(6) C(6) -176.2(9) 1_555 1_555 1_555 1_555 yes
O(6) P(2) Ru(1) N(1) -85.4(5) 1_555 1_555 1_555 1_555 yes
O(6) P(2) O(4) C(4) -168(1) 1_555 1_555 1_555 1_555 yes
O(6) P(2) O(5) C(5) 49.7(10) 1_555 1_555 1_555 1_555 yes
O(7) P(3) Ru(2) N(2) 123.0(5) 1_555 1_555 1_555 1_555 yes
O(7) P(3) O(8) C(8) -50(1) 1_555 1_555 1_555 1_555 yes
O(7) P(3) O(9) C(9) -63(1) 1_555 1_555 1_555 1_555 yes
O(8) P(3) Ru(2) N(2) -112.1(6) 1_555 1_555 1_555 1_555 yes
O(8) P(3) O(7) C(7) -80(1) 1_555 1_555 1_555 1_555 yes
O(8) P(3) O(9) C(9) -170(1) 1_555 1_555 1_555 1_555 yes
O(9) P(3) Ru(2) N(2) 5.5(5) 1_555 1_555 1_555 1_555 yes
O(9) P(3) O(7) C(7) 177(1) 1_555 1_555 1_555 1_555 yes
O(9) P(3) O(8) C(8) 50(1) 1_555 1_555 1_555 1_555 yes
O(10) P(4) Ru(2) N(2) -70.2(6) 1_555 1_555 1_555 1_555 yes
O(10) P(4) O(11a) C(11) -170(2) 1_555 1_555 1_555 1_555 yes
O(10) P(4) O(11b) C(11) 85(1) 1_555 1_555 1_555 1_555 yes
O(10) P(4) O(12a) C(12) -109(2) 1_555 1_555 1_555 1_555 yes
O(10) P(4) O(12b) C(12) 175(1) 1_555 1_555 1_555 1_555 yes
O(11a) P(4) Ru(2) N(2) 24(1) 1_555 1_555 1_555 1_555 yes
O(11a) P(4) O(10) C(10) 68(1) 1_555 1_555 1_555 1_555 yes
O(11a) P(4) O(11b) C(11) 31(1) 1_555 1_555 1_555 1_555 yes
O(11a) P(4) O(12a) C(12) 160(2) 1_555 1_555 1_555 1_555 yes
O(11a) P(4) O(12b) C(12) 88(2) 1_555 1_555 1_555 1_555 yes
O(11b) P(4) Ru(2) N(2) 71(1) 1_555 1_555 1_555 1_555 yes
O(11b) P(4) O(10) C(10) 35(1) 1_555 1_555 1_555 1_555 yes
O(11b) P(4) O(11a) C(11) -38(2) 1_555 1_555 1_555 1_555 yes
O(11b) P(4) O(12a) C(12) 145(2) 1_555 1_555 1_555 1_555 yes
O(11b) P(4) O(12b) C(12) 60(1) 1_555 1_555 1_555 1_555 yes
O(12a) P(4) Ru(2) N(2) 147(1) 1_555 1_555 1_555 1_555 yes
O(12a) P(4) O(10) C(10) -28(1) 1_555 1_555 1_555 1_555 yes
O(12a) P(4) O(11a) C(11) -58(2) 1_555 1_555 1_555 1_555 yes
O(12a) P(4) O(11b) C(11) -171(2) 1_555 1_555 1_555 1_555 yes
O(12a) P(4) O(12b) C(12) 48(1) 1_555 1_555 1_555 1_555 yes
O(12b) P(4) Ru(2) N(2) -172.2(8) 1_555 1_555 1_555 1_555 yes
O(12b) P(4) O(10) C(10) -60(1) 1_555 1_555 1_555 1_555 yes
O(12b) P(4) O(11a) C(11) -81(2) 1_555 1_555 1_555 1_555 yes
O(12b) P(4) O(11b) C(11) -179(1) 1_555 1_555 1_555 1_555 yes
O(12b) P(4) O(12a) C(12) -49(2) 1_555 1_555 1_555 1_555 yes
