#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/17/4321720.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_4321720
loop_
_publ_author_name
'Takashi Furuhashi'
'Masaki Kawano'
'Yoshihiro Koide'
'Ryosuke Somazawa'
'Kazuko Matsumoto'
_publ_contact_author
;
    Yoshihiro Koide
 Department fo Chemistry, Waseda University, School of Science and
Engineering, Tokyo 160 JAPAN
;
_publ_contact_author_email       ' ykoide@mn.waseda.ac.jp '
_publ_contact_author_fax         ' (03)5286-3108 '
_publ_contact_author_phone       ' (03)5286-3108 '
_publ_section_title
;
 Structural Studies of the Hydrazine and Ammine Complexes of the Dinuclear
 Ruthenium Polysulfide Complexes
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              109
_journal_page_last               114
_journal_paper_doi               10.1021/ic9804115
_journal_volume                  38
_journal_year                    1999
_chemical_formula_sum            'C44.5 H47 Cl N4 O2 P2 Ru2 S8'
_chemical_formula_weight         1225.91
_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'
_audit_creation_date             'Wed Mar 18 21:24:50 1998'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                110.70(1)
_cell_angle_beta                 90.73(1)
_cell_angle_gamma                104.23(1)
_cell_formula_units_Z            2
_cell_length_a                   20.003(3)
_cell_length_b                   14.155(2)
_cell_length_c                   10.061(2)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      12.5
_cell_measurement_theta_min      2.0
_cell_volume                     2567.4(8)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        teXsan
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device       'Rigaku AFC5R'
_diffrn_measurement_method       ω
_diffrn_orient_matrix_UB_11      0.00000
_diffrn_orient_matrix_UB_12      0.00000
_diffrn_orient_matrix_UB_13      0.00000
_diffrn_orient_matrix_UB_21      0.00000
_diffrn_orient_matrix_UB_22      0.00000
_diffrn_orient_matrix_UB_23      0.00000
_diffrn_orient_matrix_UB_31      0.00000
_diffrn_orient_matrix_UB_32      0.00000
_diffrn_orient_matrix_UB_33      0.00000
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Rigaku rotating anode'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.014
_diffrn_reflns_av_sigmaI/netI    0.101
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       11
_diffrn_reflns_limit_l_min       -11
_diffrn_reflns_number            9036
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         0.00
_diffrn_reflns_theta_min         0.00
_diffrn_standards_decay_%        0.00
_diffrn_standards_interval_count 0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    1.069
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.586
_exptl_crystal_density_meas      ?
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1242.00
_exptl_crystal_size_max          0.200
_exptl_crystal_size_mid          0.160
_exptl_crystal_size_min          0.120
_refine_diff_density_max         1.55
_refine_diff_density_min         -1.66
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   1.486
_refine_ls_goodness_of_fit_obs   1.138
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     560
_refine_ls_number_reflns         5188
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.1103
_refine_ls_R_factor_obs          0.0547
_refine_ls_shift/esd_max         4.0270
_refine_ls_shift/esd_mean        0.0070
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00240|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0970
_refine_ls_wR_factor_obs         0.0753
_reflns_number_observed          5188
_reflns_number_total             9036
_reflns_observed_criterion       >3.0sigma(I)
_cod_data_source_file            ic9804115_1.cif
_cod_data_source_block           complex2
_cod_depositor_comments
;
The following automatic conversions were performed:

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

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00240|Fo|^2^]' was changed to 'calc'. New tag
'_refine_ls_weighting_details' was created. The value of the new tag
was set to 'w = 1/[\s^2^(Fo) + 0.00240|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_sg_symbol_H-M      'P -1 '
_cod_original_formula_sum        'C44.50 H47 Cl N4 O2 P2 S8 Ru2 '
_cod_database_code               4321720
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
_atom_site_occupancy
_atom_site_refinement_flags
Ru(1) 0.69118(4) 0.39912(6) 0.69708(8) 0.0297(2) Uani d . 1.00 .
Ru(2) 0.70468(4) 0.05223(6) 0.29418(8) 0.0317(2) Uani d . 1.00 .
Cl(1) 0 0 0 0 Uiso d . 1.00 .
S(1) 0.7663(1) 0.3177(2) 0.7767(3) 0.0399(7) Uani d . 1.00 .
S(2) 0.7088(1) 0.1913(2) 0.8186(3) 0.0477(8) Uani d . 1.00 .
S(3) 0.6537(1) 0.0743(2) 0.6346(3) 0.0450(7) Uani d . 1.00 .
S(4) 0.7197(1) 0.0060(2) 0.4988(3) 0.0396(7) Uani d . 1.00 .
S(5) 0.5827(1) 0.2808(2) 0.7121(3) 0.0429(7) Uani d . 1.00 .
S(6) 0.5980(1) 0.4384(2) 0.5897(3) 0.0407(7) Uani d . 1.00 .
S(7) 0.5832(1) 0.0555(2) 0.3154(3) 0.0426(7) Uani d . 1.00 .
S(8) 0.6687(1) 0.1122(2) 0.1137(3) 0.0466(8) Uani d . 1.00 .
P(1) 0.7767(1) 0.5271(2) 0.6565(2) 0.0299(6) Uani d . 1.00 .
P(2) 0.8187(1) 0.0456(2) 0.2532(3) 0.0328(6) Uani d . 1.00 .
O(1) 0.6919(4) 0.5361(6) 1.0000(8) 0.066(2) Uani d . 1.00 .
O(2) 0.6396(4) -0.1686(6) 0.1055(9) 0.073(2) Uani d . 1.00 .
N(1) 0.6858(4) 0.2792(5) 0.4803(8) 0.037(2) Uani d . 1.00 .
N(2) 0.7387(4) 0.2200(5) 0.4396(8) 0.034(2) Uani d . 1.00 .
N(3) 0.4739(4) 0.3092(7) 0.587(1) 0.059(3) Uani d . 1.00 .
N(4) 0.5382(5) 0.1278(8) 0.125(1) 0.061(3) Uani d . 1.00 .
C(1) 0.6909(5) 0.4842(7) 0.877(1) 0.041(2) Uani d . 1.00 .
C(2) 0.6684(5) -0.0838(8) 0.178(1) 0.044(2) Uani d . 1.00 .
C(3) 0.5419(5) 0.3390(7) 0.626(1) 0.040(2) Uani d . 1.00 .
C(4) 0.5888(5) 0.1007(8) 0.175(1) 0.044(2) Uani d . 1.00 .
C(5) 0.4276(6) 0.220(1) 0.618(2) 0.089(5) Uani d . 1.00 .
C(6) 0.4422(6) 0.3669(10) 0.519(2) 0.073(4) Uani d . 1.00 .
C(7) 0.4706(6) 0.123(1) 0.188(1) 0.072(4) Uani d . 1.00 .
C(8) 0.5470(7) 0.171(1) 0.013(1) 0.074(4) Uani d . 1.00 .
C(9) 0.7529(5) 0.6484(7) 0.6702(10) 0.034(2) Uani d . 1.00 .
C(10) 0.7817(5) 0.7049(8) 0.586(1) 0.047(3) Uani d . 1.00 .
C(11) 0.7677(6) 0.8005(8) 0.605(1) 0.058(3) Uani d . 1.00 .
C(12) 0.7258(6) 0.8391(8) 0.707(1) 0.054(3) Uani d . 1.00 .
C(13) 0.6966(6) 0.7837(8) 0.789(1) 0.050(3) Uani d . 1.00 .
C(14) 0.7090(5) 0.6845(8) 0.771(1) 0.043(3) Uani d . 1.00 .
C(15) 0.8595(4) 0.5804(7) 0.7710(9) 0.033(2) Uani d . 1.00 .
C(16) 0.8961(5) 0.5089(8) 0.781(1) 0.042(3) Uani d . 1.00 .
C(17) 0.9587(5) 0.5468(9) 0.871(1) 0.053(3) Uani d . 1.00 .
C(18) 0.9851(6) 0.6531(9) 0.951(1) 0.054(3) Uani d . 1.00 .
C(19) 0.9476(6) 0.7244(9) 0.943(1) 0.059(3) Uani d . 1.00 .
C(20) 0.8855(5) 0.6859(8) 0.851(1) 0.046(3) Uani d . 1.00 .
C(21) 0.7988(5) 0.4822(7) 0.4720(9) 0.033(2) Uani d . 1.00 .
C(22) 0.7474(5) 0.4665(9) 0.363(1) 0.051(3) Uani d . 1.00 .
C(23) 0.7583(7) 0.4241(10) 0.216(1) 0.067(3) Uani d . 1.00 .
C(24) 0.8210(7) 0.3971(9) 0.182(1) 0.061(3) Uani d . 1.00 .
C(25) 0.8711(6) 0.4120(9) 0.290(1) 0.056(3) Uani d . 1.00 .
C(26) 0.8605(5) 0.4553(7) 0.437(1) 0.042(2) Uani d . 1.00 .
C(27) 0.8870(5) 0.1582(7) 0.3769(10) 0.036(2) Uani d . 1.00 .
C(28) 0.9425(5) 0.2123(8) 0.324(1) 0.052(3) Uani d . 1.00 .
C(29) 0.9927(5) 0.2971(8) 0.423(1) 0.057(3) Uani d . 1.00 .
C(30) 0.9902(5) 0.3257(8) 0.571(1) 0.052(3) Uani d . 1.00 .
C(31) 0.9362(5) 0.2700(7) 0.621(1) 0.045(3) Uani d . 1.00 .
C(32) 0.8835(5) 0.1866(7) 0.524(1) 0.040(2) Uani d . 1.00 .
C(33) 0.8483(5) 0.0378(7) 0.0772(10) 0.040(2) Uani d . 1.00 .
C(34) 0.8923(6) -0.0229(8) 0.012(1) 0.051(3) Uani d . 1.00 .
C(35) 0.9149(6) -0.0237(10) -0.116(1) 0.063(4) Uani d . 1.00 .
C(36) 0.8982(6) 0.0409(10) -0.179(1) 0.061(4) Uani d . 1.00 .
C(37) 0.8553(6) 0.1034(10) -0.115(1) 0.059(3) Uani d . 1.00 .
C(38) 0.8286(5) 0.1017(8) 0.014(1) 0.049(3) Uani d . 1.00 .
C(39) 0.8423(5) -0.0661(7) 0.278(1) 0.039(2) Uani d . 1.00 .
C(40) 0.8012(6) -0.1655(8) 0.201(1) 0.061(3) Uani d . 1.00 .
C(41) 0.8185(7) -0.2530(9) 0.209(1) 0.070(4) Uani d . 1.00 .
C(42) 0.8782(7) -0.2392(10) 0.298(1) 0.064(4) Uani d . 1.00 .
C(43) 0.9167(7) -0.1409(10) 0.374(1) 0.070(4) Uani d . 1.00 .
C(44) 0.8987(6) -0.0554(9) 0.366(1) 0.060(3) Uani d . 1.00 .
C(45) 0 0 0 0 Uiso d . 0.50 .
H(1) 0 0 0 0 Uiso calc . 1.00 .
H(2) 0 0 0 0 Uiso calc . 1.00 .
H(3) 0 0 0 0 Uiso calc . 1.00 .
H(4) 0 0 0 0 Uiso calc . 1.00 .
loop_
_atom_type_symbol
_atom_type_oxidation_number
_atom_type_number_in_cell
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Ru 0 4 -1.259 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
S 0 16 0.125 0.123
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P 0 4 0.102 0.094
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
C 0 89 0.003 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
N 0 8 0.006 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O 0 4 0.011 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 94 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
Cl 0 2 0.148 0.159
;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
S(1) Ru(1) S(5) 96.44(9) 1_555 1_555 1_555 yes
S(1) Ru(1) S(6) 166.11(9) 1_555 1_555 1_555 yes
S(1) Ru(1) P(1) 97.42(9) 1_555 1_555 1_555 yes
S(1) Ru(1) N(1) 87.0(2) 1_555 1_555 1_555 yes
S(1) Ru(1) C(1) 90.4(3) 1_555 1_555 1_555 yes
S(5) Ru(1) S(6) 72.36(9) 1_555 1_555 1_555 yes
S(5) Ru(1) P(1) 166.02(9) 1_555 1_555 1_555 yes
S(5) Ru(1) N(1) 84.3(2) 1_555 1_555 1_555 yes
S(5) Ru(1) C(1) 90.4(3) 1_555 1_555 1_555 yes
S(6) Ru(1) P(1) 93.66(8) 1_555 1_555 1_555 yes
S(6) Ru(1) N(1) 83.8(2) 1_555 1_555 1_555 yes
S(6) Ru(1) C(1) 97.7(3) 1_555 1_555 1_555 yes
P(1) Ru(1) N(1) 94.5(2) 1_555 1_555 1_555 yes
P(1) Ru(1) C(1) 91.4(3) 1_555 1_555 1_555 yes
N(1) Ru(1) C(1) 173.8(4) 1_555 1_555 1_555 yes
S(4) Ru(2) S(7) 96.19(9) 1_555 1_555 1_555 yes
S(4) Ru(2) S(8) 167.40(9) 1_555 1_555 1_555 yes
S(4) Ru(2) P(2) 88.11(9) 1_555 1_555 1_555 yes
S(4) Ru(2) N(2) 88.0(2) 1_555 1_555 1_555 yes
S(4) Ru(2) C(2) 92.5(3) 1_555 1_555 1_555 yes
S(7) Ru(2) S(8) 72.13(9) 1_555 1_555 1_555 yes
S(7) Ru(2) P(2) 175.16(10) 1_555 1_555 1_555 yes
S(7) Ru(2) N(2) 89.8(2) 1_555 1_555 1_555 yes
S(7) Ru(2) C(2) 84.7(3) 1_555 1_555 1_555 yes
S(8) Ru(2) P(2) 103.76(9) 1_555 1_555 1_555 yes
S(8) Ru(2) N(2) 87.2(2) 1_555 1_555 1_555 yes
S(8) Ru(2) C(2) 91.1(3) 1_555 1_555 1_555 yes
P(2) Ru(2) N(2) 92.6(2) 1_555 1_555 1_555 yes
P(2) Ru(2) C(2) 93.0(3) 1_555 1_555 1_555 yes
N(2) Ru(2) C(2) 174.5(4) 1_555 1_555 1_555 yes
C(45) Cl(1) C(45) 80.992(3) 1_555 1_555 2_665 yes
Ru(1) S(1) S(2) 110.1(1) 1_555 1_555 1_555 yes
S(1) S(2) S(3) 111.4(2) 1_555 1_555 1_555 yes
S(2) S(3) S(4) 111.0(2) 1_555 1_555 1_555 yes
Ru(2) S(4) S(3) 103.2(1) 1_555 1_555 1_555 yes
Ru(1) S(5) C(3) 87.1(3) 1_555 1_555 1_555 yes
Ru(1) S(6) C(3) 87.3(4) 1_555 1_555 1_555 yes
Ru(2) S(7) C(4) 86.9(4) 1_555 1_555 1_555 yes
Ru(2) S(8) C(4) 88.3(4) 1_555 1_555 1_555 yes
Ru(1) P(1) C(9) 116.0(3) 1_555 1_555 1_555 yes
Ru(1) P(1) C(15) 118.5(3) 1_555 1_555 1_555 yes
Ru(1) P(1) C(21) 111.7(3) 1_555 1_555 1_555 yes
C(9) P(1) C(15) 101.5(4) 1_555 1_555 1_555 yes
C(9) P(1) C(21) 101.4(4) 1_555 1_555 1_555 yes
C(15) P(1) C(21) 105.9(4) 1_555 1_555 1_555 yes
Ru(2) P(2) C(27) 115.0(3) 1_555 1_555 1_555 yes
Ru(2) P(2) C(33) 119.8(3) 1_555 1_555 1_555 yes
Ru(2) P(2) C(39) 114.5(3) 1_555 1_555 1_555 yes
C(27) P(2) C(33) 101.7(4) 1_555 1_555 1_555 yes
C(27) P(2) C(39) 101.4(4) 1_555 1_555 1_555 yes
C(33) P(2) C(39) 102.0(5) 1_555 1_555 1_555 yes
Ru(1) N(1) N(2) 122.3(5) 1_555 1_555 1_555 yes
Ru(1) N(1) H(1) 115.4(6) 1_555 1_555 1_555 no
Ru(1) N(1) H(2) 140.6(6) 1_555 1_555 1_555 no
N(2) N(1) H(1) 94.7(6) 1_555 1_555 1_555 no
N(2) N(1) H(2) 91.5(6) 1_555 1_555 1_555 no
H(1) N(1) H(2) 77.2(5) 1_555 1_555 1_555 no
Ru(2) N(2) N(1) 118.7(5) 1_555 1_555 1_555 yes
Ru(2) N(2) H(3) 116.6(5) 1_555 1_555 1_555 no
Ru(2) N(2) H(4) 108.3(6) 1_555 1_555 1_555 no
N(1) N(2) H(3) 96.6(6) 1_555 1_555 1_555 no
N(1) N(2) H(4) 101.2(7) 1_555 1_555 1_555 no
H(3) N(2) H(4) 114.5(7) 1_555 1_555 1_555 no
C(3) N(3) C(5) 120(1) 1_555 1_555 1_555 yes
C(3) N(3) C(6) 120.4(10) 1_555 1_555 1_555 yes
C(5) N(3) C(6) 118.7(10) 1_555 1_555 1_555 yes
C(4) N(4) C(7) 121(1) 1_555 1_555 1_555 yes
C(4) N(4) C(8) 121(1) 1_555 1_555 1_555 yes
C(7) N(4) C(8) 116.6(10) 1_555 1_555 1_555 yes
Ru(1) C(1) O(1) 175.7(9) 1_555 1_555 1_555 yes
Ru(2) C(2) O(2) 174.0(10) 1_555 1_555 1_555 yes
S(5) C(3) S(6) 113.3(6) 1_555 1_555 1_555 yes
S(5) C(3) N(3) 123.9(8) 1_555 1_555 1_555 yes
S(6) C(3) N(3) 122.8(8) 1_555 1_555 1_555 yes
S(7) C(4) S(8) 112.7(6) 1_555 1_555 1_555 yes
S(7) C(4) N(4) 123.9(9) 1_555 1_555 1_555 yes
S(8) C(4) N(4) 123.3(9) 1_555 1_555 1_555 yes
P(1) C(9) C(10) 120.2(8) 1_555 1_555 1_555 yes
P(1) C(9) C(14) 118.6(8) 1_555 1_555 1_555 yes
C(10) C(9) C(14) 121.1(9) 1_555 1_555 1_555 yes
C(9) C(10) C(11) 119.7(10) 1_555 1_555 1_555 yes
C(10) C(11) C(12) 120(1) 1_555 1_555 1_555 yes
C(11) C(12) C(13) 120(1) 1_555 1_555 1_555 yes
C(12) C(13) C(14) 120(1) 1_555 1_555 1_555 yes
C(9) C(14) C(13) 117.7(10) 1_555 1_555 1_555 yes
P(1) C(15) C(16) 117.9(8) 1_555 1_555 1_555 yes
P(1) C(15) C(20) 122.6(8) 1_555 1_555 1_555 yes
C(16) C(15) C(20) 119.5(9) 1_555 1_555 1_555 yes
C(15) C(16) C(17) 119(1) 1_555 1_555 1_555 yes
C(16) C(17) C(18) 121(1) 1_555 1_555 1_555 yes
C(17) C(18) C(19) 119(1) 1_555 1_555 1_555 yes
C(18) C(19) C(20) 119(1) 1_555 1_555 1_555 yes
C(15) C(20) C(19) 121(1) 1_555 1_555 1_555 yes
P(1) C(21) C(22) 116.8(8) 1_555 1_555 1_555 yes
P(1) C(21) C(26) 122.5(8) 1_555 1_555 1_555 yes
C(22) C(21) C(26) 120.4(10) 1_555 1_555 1_555 yes
C(21) C(22) C(23) 120(1) 1_555 1_555 1_555 yes
C(22) C(23) C(24) 118(1) 1_555 1_555 1_555 yes
C(23) C(24) C(25) 120(1) 1_555 1_555 1_555 yes
C(24) C(25) C(26) 120(1) 1_555 1_555 1_555 yes
C(21) C(26) C(25) 119.0(10) 1_555 1_555 1_555 yes
P(2) C(27) C(28) 120.7(8) 1_555 1_555 1_555 yes
P(2) C(27) C(32) 118.7(8) 1_555 1_555 1_555 yes
C(28) C(27) C(32) 120.6(9) 1_555 1_555 1_555 yes
C(27) C(28) C(29) 118(1) 1_555 1_555 1_555 yes
C(28) C(29) C(30) 121(1) 1_555 1_555 1_555 yes
C(29) C(30) C(31) 119(1) 1_555 1_555 1_555 yes
C(30) C(31) C(32) 119(1) 1_555 1_555 1_555 yes
C(27) C(32) C(31) 120.2(10) 1_555 1_555 1_555 yes
P(2) C(33) C(34) 122.8(8) 1_555 1_555 1_555 yes
P(2) C(33) C(38) 117.3(8) 1_555 1_555 1_555 yes
C(34) C(33) C(38) 119.8(10) 1_555 1_555 1_555 yes
C(33) C(34) C(35) 120(1) 1_555 1_555 1_555 yes
C(34) C(35) C(36) 120(1) 1_555 1_555 1_555 yes
C(35) C(36) C(37) 119(1) 1_555 1_555 1_555 yes
C(36) C(37) C(38) 120(1) 1_555 1_555 1_555 yes
C(33) C(38) C(37) 118(1) 1_555 1_555 1_555 yes
P(2) C(39) C(40) 117.8(8) 1_555 1_555 1_555 yes
P(2) C(39) C(44) 123.7(8) 1_555 1_555 1_555 yes
C(40) C(39) C(44) 118(1) 1_555 1_555 1_555 yes
C(39) C(40) C(41) 120(1) 1_555 1_555 1_555 yes
C(40) C(41) C(42) 119(1) 1_555 1_555 1_555 yes
C(41) C(42) C(43) 118(1) 1_555 1_555 1_555 yes
C(42) C(43) C(44) 120(1) 1_555 1_555 1_555 yes
C(39) C(44) C(43) 121(1) 1_555 1_555 1_555 yes
Cl(1) C(45) Cl(1) 99.008(3) 1_555 1_555 2_665 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) S(1) 2.389(3) 1_555 1_555 yes
Ru(1) S(5) 2.437(3) 1_555 1_555 yes
Ru(1) S(6) 2.414(3) 1_555 1_555 yes
Ru(1) P(1) 2.322(3) 1_555 1_555 yes
Ru(1) N(1) 2.222(8) 1_555 1_555 yes
Ru(1) C(1) 1.79(1) 1_555 1_555 yes
Ru(2) S(4) 2.407(3) 1_555 1_555 yes
Ru(2) S(7) 2.453(3) 1_555 1_555 yes
Ru(2) S(8) 2.428(3) 1_555 1_555 yes
Ru(2) P(2) 2.341(3) 1_555 1_555 yes
Ru(2) N(2) 2.228(8) 1_555 1_555 yes
Ru(2) C(2) 1.82(1) 1_555 1_555 yes
Cl(1) C(45) 1.810 1_555 1_555 yes
Cl(1) C(45) 1.6365(1) 1_555 2_665 yes
S(1) S(2) 2.058(4) 1_555 1_555 yes
S(2) S(3) 2.066(4) 1_555 1_555 yes
S(3) S(4) 2.069(4) 1_555 1_555 yes
S(5) C(3) 1.70(1) 1_555 1_555 yes
S(6) C(3) 1.726(10) 1_555 1_555 yes
S(7) C(4) 1.74(1) 1_555 1_555 yes
S(8) C(4) 1.71(1) 1_555 1_555 yes
P(1) C(9) 1.852(9) 1_555 1_555 yes
P(1) C(15) 1.833(10) 1_555 1_555 yes
P(1) C(21) 1.836(10) 1_555 1_555 yes
P(2) C(27) 1.855(10) 1_555 1_555 yes
P(2) C(33) 1.85(1) 1_555 1_555 yes
P(2) C(39) 1.851(10) 1_555 1_555 yes
O(1) C(1) 1.19(1) 1_555 1_555 yes
O(2) C(2) 1.16(1) 1_555 1_555 yes
N(1) N(2) 1.48(1) 1_555 1_555 yes
N(3) C(3) 1.33(1) 1_555 1_555 yes
N(3) C(5) 1.50(1) 1_555 1_555 yes
N(3) C(6) 1.48(1) 1_555 1_555 yes
N(4) C(4) 1.32(1) 1_555 1_555 yes
N(4) C(7) 1.50(1) 1_555 1_555 yes
N(4) C(8) 1.46(2) 1_555 1_555 yes
C(9) C(10) 1.40(1) 1_555 1_555 yes
C(9) C(14) 1.39(1) 1_555 1_555 yes
C(10) C(11) 1.40(1) 1_555 1_555 yes
C(11) C(12) 1.38(2) 1_555 1_555 yes
C(12) C(13) 1.38(2) 1_555 1_555 yes
C(13) C(14) 1.43(1) 1_555 1_555 yes
C(15) C(16) 1.42(1) 1_555 1_555 yes
C(15) C(20) 1.38(1) 1_555 1_555 yes
C(16) C(17) 1.41(1) 1_555 1_555 yes
C(17) C(18) 1.39(2) 1_555 1_555 yes
C(18) C(19) 1.42(2) 1_555 1_555 yes
C(19) C(20) 1.41(2) 1_555 1_555 yes
C(21) C(22) 1.41(1) 1_555 1_555 yes
C(21) C(26) 1.39(1) 1_555 1_555 yes
C(22) C(23) 1.43(2) 1_555 1_555 yes
C(23) C(24) 1.41(2) 1_555 1_555 yes
C(24) C(25) 1.39(2) 1_555 1_555 yes
C(25) C(26) 1.43(1) 1_555 1_555 yes
C(27) C(28) 1.41(1) 1_555 1_555 yes
C(27) C(32) 1.39(1) 1_555 1_555 yes
C(28) C(29) 1.41(1) 1_555 1_555 yes
C(29) C(30) 1.40(2) 1_555 1_555 yes
C(30) C(31) 1.39(2) 1_555 1_555 yes
C(31) C(32) 1.42(1) 1_555 1_555 yes
C(33) C(34) 1.39(1) 1_555 1_555 yes
C(33) C(38) 1.40(1) 1_555 1_555 yes
C(34) C(35) 1.37(2) 1_555 1_555 yes
C(35) C(36) 1.38(2) 1_555 1_555 yes
C(36) C(37) 1.39(2) 1_555 1_555 yes
C(37) C(38) 1.42(2) 1_555 1_555 yes
C(39) C(40) 1.38(1) 1_555 1_555 yes
C(39) C(44) 1.37(1) 1_555 1_555 yes
C(40) C(41) 1.39(2) 1_555 1_555 yes
C(41) C(42) 1.41(2) 1_555 1_555 yes
C(42) C(43) 1.35(2) 1_555 1_555 yes
C(43) C(44) 1.37(2) 1_555 1_555 yes
