#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/24/7052467.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_7052467
loop_
_publ_author_name
'Gaw, Kirsty G.'
'Smith, Martin B.'
'Slawin, Alexandra M. Z.'
_publ_section_title
;
 Molybdenum(0), ruthenium(II), palladium(II), platinum(II), copper(I)
 and gold(I) complexes of a new methoxy functionalised
 bis(phosphino)amine: synthesis and structure
;
_journal_issue                   6
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              429
_journal_paper_doi               10.1039/b001458n
_journal_volume                  24
_journal_year                    2000
_chemical_compound_source        -
_chemical_formula_analytical     'C65 H58 Cl10 N2 O2 P4 Ru '
_chemical_formula_moiety
'C62 H54 Cl2 N2 O2 P4 Ru.(C H Cl3)2.(CH2 Cl2)'
_chemical_formula_structural     'C65 H58 Cl10 N2 O2 P4 Ru '
_chemical_formula_sum            'C65 H58 Cl10 N2 O2 P4 Ru'
_chemical_formula_weight         1478.68
_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                92.14(4)
_cell_angle_beta                 112.82(4)
_cell_angle_gamma                111.20(3)
_cell_formula_units_Z            1
_cell_length_a                   12.587(6)
_cell_length_b                   14.127(5)
_cell_length_c                   11.423(6)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293.2
_cell_measurement_theta_max      12.0
_cell_measurement_theta_min      10.4
_cell_volume                     1707.8(16)
_computing_cell_refinement       'MSC/AFC Diffractometer Control'
_computing_data_collection       'MSC/AFC Diffractometer Control'
_computing_data_reduction        'teXsan (MSC, 1992-1997)'
_computing_publication_material  'teXsan (MSC, 1992-1997)'
_computing_structure_refinement  'teXsan (MSC, 1992-1997)'
_computing_structure_solution
;
SIR92 (Altomare, et. al. 1993)
;
_diffrn_ambient_temperature      293.2
_diffrn_measurement_device_type  'Rigaku AFC7S'
_diffrn_measurement_method       ω
_diffrn_orient_matrix_UB_11      0.03852
_diffrn_orient_matrix_UB_12      -0.04959
_diffrn_orient_matrix_UB_13      -0.00632
_diffrn_orient_matrix_UB_21      0.08615
_diffrn_orient_matrix_UB_22      0.05750
_diffrn_orient_matrix_UB_23      0.04544
_diffrn_orient_matrix_UB_31      0.00325
_diffrn_orient_matrix_UB_32      -0.01600
_diffrn_orient_matrix_UB_33      0.08555
_diffrn_radiation_detector       'scintillation counter'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.02034
_diffrn_reflns_av_sigmaI/netI    0.070
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            6314
_diffrn_reflns_reduction_process 'Lp corrections applied'
_diffrn_reflns_theta_max         25.02
_diffrn_reflns_theta_min         2.78
_diffrn_standards_decay_%        -3.66
_diffrn_standards_interval_count 150
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.757
_exptl_absorpt_correction_T_max  0.998
_exptl_absorpt_correction_T_min  0.914
_exptl_absorpt_correction_type
;
\y scans (North,Phillips & Matthews, 1968)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.438
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             752.00
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.16
_exptl_crystal_size_min          0.16
_refine_diff_density_max         5.26
_refine_diff_density_min         -1.22
_refine_ls_abs_structure_details -
_refine_ls_abs_structure_Flack   -
_refine_ls_extinction_coef       -
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_all   6.086
_refine_ls_goodness_of_fit_ref   6.086
_refine_ls_hydrogen_treatment    noref
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     368
_refine_ls_number_reflns         4071
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0874
_refine_ls_R_factor_gt           0.0874
_refine_ls_shift/esd_max         4.4590
_refine_ls_shift/esd_mean        0.0790
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     'w = 1/[σ²(Fo) + 0.00000|Fo|²]'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1186
_refine_ls_wR_factor_ref         0.1186
_reflns_number_gt                4071
_reflns_number_total             6016
_reflns_threshold_expression     I>3.00σ(I)
_cod_data_source_file            b001458n.txt
_cod_data_source_block           13
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'w = 1/[\s^2^(Fo) +
0.00000|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) + 0.00000|Fo|^2^]'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        1708(2)
_cod_original_sg_symbol_H-M      'P -1       '
_cod_original_formula_sum        'C65 H58 Cl10 N2 O2 P4 Ru '
_cod_database_code               7052467
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_occupancy
_atom_site_refinement_flags
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_calc_attached_atom
Ru(1) 0.0000 0.0000 0.0000 0.0279(3) 0.500 S Uani d ?
Cl(1) 0.0586(2) -0.1402(2) -0.0337(2) 0.0410(6) 1.000 . Uani d ?
Cl(2) 0.6114(5) 0.2561(5) -0.0839(6) 0.171(2) 1.000 . Uani d ?
Cl(3) 0.8447(5) 0.3295(5) 0.1392(5) 0.156(2) 1.000 . Uani d ?
Cl(4) 0.8427(6) 0.3790(5) -0.0981(7) 0.181(2) 1.000 . Uani d ?
Cl(5) 0.9797 0.4726 0.4238 0.296 0.500 . Uani d ?
Cl(6) 0.9008 0.4601 0.6169 0.136 0.500 . Uani d ?
P(1) 0.1771(2) 0.1135(2) -0.0231(2) 0.0325(6) 1.000 . Uani d ?
P(2) 0.1765(2) 0.0629(2) 0.2004(2) 0.0335(6) 1.000 . Uani d ?
O(26) 0.2611(7) 0.3114(5) 0.2113(8) 0.057(2) 1.000 . Uani d ?
N(1) 0.2780(7) 0.1396(6) 0.1381(7) 0.033(2) 1.000 . Uani d ?
C(1) 0.2417(9) 0.0573(8) -0.1128(9) 0.039(3) 1.000 . Uani d ?
C(2) 0.314(1) 0.0050(9) -0.062(1) 0.046(3) 1.000 . Uani d ?
C(3) 0.350(1) -0.0436(9) -0.136(1) 0.058(3) 1.000 . Uani d ?
C(4) 0.311(1) -0.035(1) -0.268(1) 0.077(4) 1.000 . Uani d ?
C(5) 0.236(1) 0.0134(9) -0.323(1) 0.057(3) 1.000 . Uani d ?
C(6) 0.203(1) 0.0612(9) -0.245(1) 0.054(3) 1.000 . Uani d ?
C(7) 0.2100(9) 0.2400(8) -0.0698(9) 0.039(3) 1.000 . Uani d ?
C(8) 0.327(1) 0.2954(9) -0.069(1) 0.047(3) 1.000 . Uani d ?
C(9) 0.356(1) 0.391(1) -0.099(1) 0.064(4) 1.000 . Uani d ?
C(10) 0.271(1) 0.4363(9) -0.128(1) 0.077(4) 1.000 . Uani d ?
C(11) 0.151(1) 0.381(1) -0.132(1) 0.073(4) 1.000 . Uani d ?
C(12) 0.120(1) 0.2819(8) -0.102(1) 0.051(3) 1.000 . Uani d ?
C(13) 0.196(1) 0.1431(8) 0.3444(9) 0.039(3) 1.000 . Uani d ?
C(14) 0.312(1) 0.1915(9) 0.449(1) 0.054(3) 1.000 . Uani d ?
C(15) 0.325(1) 0.248(1) 0.558(1) 0.075(4) 1.000 . Uani d ?
C(16) 0.221(2) 0.255(1) 0.565(1) 0.088(5) 1.000 . Uani d ?
C(17) 0.107(1) 0.207(1) 0.460(1) 0.091(5) 1.000 . Uani d ?
C(18) 0.094(1) 0.1490(9) 0.351(1) 0.057(3) 1.000 . Uani d ?
C(19) 0.2443(9) -0.0246(7) 0.2812(9) 0.036(2) 1.000 . Uani d ?
C(20) 0.174(1) -0.0947(9) 0.333(1) 0.053(3) 1.000 . Uani d ?
C(21) 0.214(1) -0.1648(9) 0.393(1) 0.066(4) 1.000 . Uani d ?
C(22) 0.327(1) -0.167(1) 0.404(1) 0.072(4) 1.000 . Uani d ?
C(23) 0.400(1) -0.097(1) 0.355(1) 0.068(4) 1.000 . Uani d ?
C(24) 0.357(1) -0.0262(8) 0.294(1) 0.051(3) 1.000 . Uani d ?
C(25) 0.3895(9) 0.2299(8) 0.2063(9) 0.040(3) 1.000 . Uani d ?
C(26) 0.381(1) 0.3210(8) 0.246(1) 0.044(3) 1.000 . Uani d ?
C(27) 0.492(1) 0.4121(9) 0.317(1) 0.064(4) 1.000 . Uani d ?
C(28) 0.605(1) 0.412(1) 0.344(1) 0.079(4) 1.000 . Uani d ?
C(29) 0.617(1) 0.325(1) 0.307(1) 0.073(4) 1.000 . Uani d ?
C(30) 0.507(1) 0.2327(9) 0.235(1) 0.054(3) 1.000 . Uani d ?
C(31) 0.236(1) 0.401(1) 0.247(2) 0.125(6) 1.000 . Uani d ?
C(40) 0.767(2) 0.285(1) -0.031(2) 0.116(6) 1.000 . Uani d ?
C(50) 1.0130 0.4512 0.5488 0.096 0.500 . Uani d ?
H(2) 0.3423 0.0030 0.0277 0.054 1.000 . Uiso c ?
H(3) 0.3990 -0.0822 -0.0997 0.069 1.000 . Uiso c ?
H(4) 0.3395 -0.0659 -0.3191 0.091 1.000 . Uiso c ?
H(5) 0.2078 0.0146 -0.4123 0.067 1.000 . Uiso c ?
H(6) 0.1526 0.0982 -0.2820 0.064 1.000 . Uiso c ?
H(8) 0.3872 0.2663 -0.0473 0.055 1.000 . Uiso c ?
H(9) 0.4351 0.4270 -0.1009 0.077 1.000 . Uiso c ?
H(10) 0.2936 0.5042 -0.1449 0.091 1.000 . Uiso c ?
H(11) 0.0913 0.4111 -0.1539 0.086 1.000 . Uiso c ?
H(12) 0.0397 0.2441 -0.1049 0.061 1.000 . Uiso c ?
H(14) 0.3833 0.1857 0.4463 0.063 1.000 . Uiso c ?
H(15) 0.4062 0.2827 0.6288 0.089 1.000 . Uiso c ?
H(16) 0.2289 0.2917 0.6412 0.105 1.000 . Uiso c ?
H(17) 0.0362 0.2137 0.4620 0.110 1.000 . Uiso c ?
H(18) 0.0122 0.1134 0.2808 0.068 1.000 . Uiso c ?
H(20) 0.0974 -0.0933 0.3262 0.063 1.000 . Uiso c ?
H(21) 0.1649 -0.2123 0.4281 0.077 1.000 . Uiso c ?
H(22) 0.3541 -0.2167 0.4443 0.085 1.000 . Uiso c ?
H(23) 0.4776 -0.0974 0.3627 0.081 1.000 . Uiso c ?
H(24) 0.4068 0.0221 0.2601 0.058 1.000 . Uiso c ?
H(27) 0.4861 0.4731 0.3458 0.076 1.000 . Uiso c ?
H(28) 0.6787 0.4747 0.3898 0.092 1.000 . Uiso c ?
H(29) 0.6984 0.3258 0.3302 0.089 1.000 . Uiso c ?
H(30) 0.5153 0.1726 0.2070 0.063 1.000 . Uiso c ?
H(31B) 0.2707 0.4568 0.2095 0.146 1.000 . Uiso c ?
H(31A) 0.2744 0.4228 0.3381 0.146 1.000 . Uiso c ?
H(31C) 0.1477 0.3812 0.2138 0.146 1.000 . Uiso c ?
H(40) 0.7764 0.2239 -0.0502 0.136 1.000 . Uiso c ?
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
C 0 65 0.002 0.002
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
H 0 58 0.000 0.000
;International Tables for Crystallography
(1992, Vol. C, Table 6.1.1.2)
;
N 0 2 0.004 0.003
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
O 0 2 0.008 0.006
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
P 0 4 0.090 0.095
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Cl 0 10 0.132 0.159
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
Ru 0 1 -1.420 0.836
;International Tables for Crystallography
(1992, Vol. C, Tables 4.2.6.8 and 6.1.1.1)
;
loop_
_diffrn_standard_refln_index_h
_diffrn_standard_refln_index_k
_diffrn_standard_refln_index_l
-1 -3 3
2 -5 1
2 -5 -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
Cl(1) Ru(1) Cl(1) 180.00 . . 2 yes
Cl(1) Ru(1) P(1) 88.49(9) . . . yes
Cl(1) Ru(1) P(1) 91.51(9) . . 2 yes
Cl(1) Ru(1) P(2) 87.89(9) . . . yes
Cl(1) Ru(1) P(2) 92.11(9) . . 2 yes
Cl(1) Ru(1) P(1) 91.51(9) 2 . . yes
Cl(1) Ru(1) P(1) 88.49(9) 2 . 2 yes
Cl(1) Ru(1) P(2) 92.11(9) 2 . . yes
Cl(1) Ru(1) P(2) 87.89(9) 2 . 2 yes
P(1) Ru(1) P(1) 180.00 . . 2 yes
P(1) Ru(1) P(2) 69.84(9) . . . yes
P(1) Ru(1) P(2) 110.16(9) . . 2 yes
P(1) Ru(1) P(2) 110.16(9) 2 . . yes
P(1) Ru(1) P(2) 69.84(9) 2 . 2 yes
P(2) Ru(1) P(2) 180.00 . . 2 yes
Cl(5) Cl(5) Cl(6) 107.746(6) 2_766 . 2_766 yes
Cl(5) Cl(5) C(50) 39.418(2) 2_766 . . yes
Cl(5) Cl(5) C(50) 56.276(3) 2_766 . 2_766 yes
Cl(6) Cl(5) C(50) 117.70(2) 2_766 . . yes
Cl(6) Cl(5) C(50) 82.45(1) 2_766 . 2_766 yes
C(50) Cl(5) C(50) 95.693(4) . . 2_766 yes
Cl(5) Cl(6) C(50) 34.08(1) 2_766 . . yes
Ru(1) P(1) N(1) 94.8(3) . . . yes
Ru(1) P(1) C(1) 117.6(3) . . . yes
Ru(1) P(1) C(7) 130.7(4) . . . yes
N(1) P(1) C(1) 106.5(4) . . . yes
N(1) P(1) C(7) 105.2(4) . . . yes
C(1) P(1) C(7) 99.5(5) . . . yes
Ru(1) P(2) N(1) 94.2(2) . . . yes
Ru(1) P(2) C(13) 126.2(4) . . . yes
Ru(1) P(2) C(19) 120.3(3) . . . yes
N(1) P(2) C(13) 108.7(4) . . . yes
N(1) P(2) C(19) 107.4(4) . . . yes
C(13) P(2) C(19) 98.7(5) . . . yes
C(26) O(26) C(31) 120.5(9) . . . yes
P(1) N(1) P(2) 101.2(4) . . . yes
P(1) N(1) C(25) 126.3(7) . . . yes
P(2) N(1) C(25) 126.9(7) . . . yes
P(1) C(1) C(2) 123.9(8) . . . yes
P(1) C(1) C(6) 117.6(9) . . . yes
C(2) C(1) C(6) 118(1) . . . yes
C(1) C(2) C(3) 122(1) . . . yes
C(1) C(2) H(2) 118.9 . . . no
C(3) C(2) H(2) 119.2 . . . no
C(2) C(3) C(4) 118(1) . . . yes
C(2) C(3) H(3) 121.2 . . . no
C(4) C(3) H(3) 121.2 . . . no
C(3) C(4) C(5) 122(1) . . . yes
C(3) C(4) H(4) 118.5 . . . no
C(5) C(4) H(4) 119.3 . . . no
C(4) C(5) C(6) 118(1) . . . yes
C(4) C(5) H(5) 120.8 . . . no
C(6) C(5) H(5) 121.2 . . . no
C(1) C(6) C(5) 122(1) . . . yes
C(1) C(6) H(6) 119.2 . . . no
C(5) C(6) H(6) 118.9 . . . no
P(1) C(7) C(8) 119.6(9) . . . yes
P(1) C(7) C(12) 120.5(8) . . . yes
C(8) C(7) C(12) 120(1) . . . yes
C(7) C(8) C(9) 121(1) . . . yes
C(7) C(8) H(8) 119.5 . . . no
C(9) C(8) H(8) 119.3 . . . no
C(8) C(9) C(10) 121(1) . . . yes
C(8) C(9) H(9) 119.9 . . . no
C(10) C(9) H(9) 119.5 . . . no
C(9) C(10) C(11) 120(1) . . . yes
C(9) C(10) H(10) 120.0 . . . no
C(11) C(10) H(10) 120.4 . . . no
C(10) C(11) C(12) 120(1) . . . yes
C(10) C(11) H(11) 120.0 . . . no
C(12) C(11) H(11) 120.2 . . . no
C(7) C(12) C(11) 119(1) . . . yes
C(7) C(12) H(12) 120.7 . . . no
C(11) C(12) H(12) 120.4 . . . no
P(2) C(13) C(14) 120.9(9) . . . yes
P(2) C(13) C(18) 119.6(8) . . . yes
C(14) C(13) C(18) 119(1) . . . yes
C(13) C(14) C(15) 121(1) . . . yes
C(13) C(14) H(14) 119.6 . . . no
C(15) C(14) H(14) 119.6 . . . no
C(14) C(15) C(16) 120(1) . . . yes
C(14) C(15) H(15) 119.8 . . . no
C(16) C(15) H(15) 120.1 . . . no
C(15) C(16) C(17) 118(1) . . . yes
C(15) C(16) H(16) 120.4 . . . no
C(17) C(16) H(16) 121.6 . . . no
C(16) C(17) C(18) 122(1) . . . yes
C(16) C(17) H(17) 118.6 . . . no
C(18) C(17) H(17) 119.5 . . . no
C(13) C(18) C(17) 120(1) . . . yes
C(13) C(18) H(18) 120.4 . . . no
C(17) C(18) H(18) 119.9 . . . no
P(2) C(19) C(20) 115.9(8) . . . yes
P(2) C(19) C(24) 125.6(8) . . . yes
C(20) C(19) C(24) 119(1) . . . yes
C(19) C(20) C(21) 121(1) . . . yes
C(19) C(20) H(20) 119.3 . . . no
C(21) C(20) H(20) 119.4 . . . no
C(20) C(21) C(22) 120(1) . . . yes
C(20) C(21) H(21) 120.3 . . . no
C(22) C(21) H(21) 120.1 . . . no
C(21) C(22) C(23) 120(1) . . . yes
C(21) C(22) H(22) 120.1 . . . no
C(23) C(22) H(22) 119.5 . . . no
C(22) C(23) C(24) 119(1) . . . yes
C(22) C(23) H(23) 121.0 . . . no
C(24) C(23) H(23) 120.3 . . . no
C(19) C(24) C(23) 121(1) . . . yes
C(19) C(24) H(24) 119.4 . . . no
C(23) C(24) H(24) 119.3 . . . no
N(1) C(25) C(26) 119(1) . . . yes
N(1) C(25) C(30) 123(1) . . . yes
C(26) C(25) C(30) 118.3(9) . . . yes
O(26) C(26) C(25) 114.2(8) . . . yes
O(26) C(26) C(27) 126(1) . . . yes
C(25) C(26) C(27) 120(1) . . . yes
C(26) C(27) C(28) 120(1) . . . yes
C(26) C(27) H(27) 119.7 . . . no
C(28) C(27) H(27) 120.0 . . . no
C(27) C(28) C(29) 121(1) . . . yes
C(27) C(28) H(28) 118.8 . . . no
C(29) C(28) H(28) 119.9 . . . no
C(28) C(29) C(30) 120(1) . . . yes
C(28) C(29) H(29) 119.8 . . . no
C(30) C(29) H(29) 120.6 . . . no
C(25) C(30) C(29) 121(1) . . . yes
C(25) C(30) H(30) 119.8 . . . no
C(29) C(30) H(30) 119.6 . . . no
O(26) C(31) H(31B) 108.9 . . . no
O(26) C(31) H(31A) 109.5 . . . no
O(26) C(31) H(31C) 109.2 . . . no
H(31B) C(31) H(31A) 109.8 . . . no
H(31B) C(31) H(31C) 109.2 . . . no
H(31A) C(31) H(31C) 110.2 . . . no
Cl(2) C(40) Cl(3) 110(1) . . . yes
Cl(2) C(40) Cl(4) 114(1) . . . yes
Cl(2) C(40) H(40) 108.2 . . . no
Cl(3) C(40) Cl(4) 107.6(9) . . . yes
Cl(3) C(40) H(40) 107.9 . . . no
Cl(4) C(40) H(40) 108.6 . . . no
Cl(5) C(50) Cl(5) 84.307(4) . . 2_766 yes
Cl(5) C(50) Cl(6) 111.31(2) . . . yes
Cl(5) C(50) C(50) 35.229(2) . . 2_766 yes
Cl(5) C(50) Cl(6) 63.465(3) 2_766 . . yes
Cl(5) C(50) C(50) 49.077(3) 2_766 . 2_766 yes
Cl(6) C(50) C(50) 90.976(9) . . 2_766 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) Cl(1) 2.416(3) . . yes
Ru(1) Cl(1) 2.416(3) . 2 yes
Ru(1) P(1) 2.348(3) . . yes
Ru(1) P(1) 2.348(3) . 2 yes
Ru(1) P(2) 2.332(2) . . yes
Ru(1) P(2) 2.332(2) . 2 yes
Cl(2) C(40) 1.69(2) . . yes
Cl(3) C(40) 1.76(2) . . yes
Cl(4) C(40) 1.73(2) . . yes
Cl(5) Cl(5) 1.6775(1) . 2_766 yes
Cl(5) Cl(6) 1.7090(6) . 2_766 yes
Cl(5) C(50) 1.402 . . yes
Cl(5) C(50) 1.0704(1) . 2_766 yes
Cl(6) C(50) 1.8937(6) . . yes
P(1) N(1) 1.714(7) . . yes
P(1) C(1) 1.84(1) . . yes
P(1) C(7) 1.83(1) . . yes
P(2) N(1) 1.754(8) . . yes
P(2) C(13) 1.84(1) . . yes
P(2) C(19) 1.83(1) . . yes
O(26) C(26) 1.35(1) . . yes
O(26) C(31) 1.49(2) . . yes
N(1) C(25) 1.41(1) . . yes
C(1) C(2) 1.35(1) . . yes
C(1) C(6) 1.41(1) . . yes
C(2) C(3) 1.36(2) . . yes
C(2) H(2) 0.95 . . no
C(3) C(4) 1.42(2) . . yes
C(3) H(3) 0.95 . . no
C(4) C(5) 1.34(2) . . yes
C(4) H(4) 0.95 . . no
C(5) C(6) 1.36(2) . . yes
C(5) H(5) 0.95 . . no
C(6) H(6) 0.95 . . no
C(7) C(8) 1.39(1) . . yes
C(7) C(12) 1.39(2) . . yes
C(8) C(9) 1.36(2) . . yes
C(8) H(8) 0.95 . . no
C(9) C(10) 1.37(2) . . yes
C(9) H(9) 0.95 . . no
C(10) C(11) 1.41(2) . . yes
C(10) H(10) 0.95 . . no
C(11) C(12) 1.40(2) . . yes
C(11) H(11) 0.95 . . no
C(12) H(12) 0.95 . . no
C(13) C(14) 1.38(1) . . yes
C(13) C(18) 1.35(2) . . yes
C(14) C(15) 1.37(2) . . yes
C(14) H(14) 0.95 . . no
C(15) C(16) 1.38(2) . . yes
C(15) H(15) 0.95 . . no
C(16) C(17) 1.36(2) . . yes
C(16) H(16) 0.95 . . no
C(17) C(18) 1.38(2) . . yes
C(17) H(17) 0.94 . . no
C(18) H(18) 0.95 . . no
C(19) C(20) 1.39(1) . . yes
C(19) C(24) 1.38(1) . . yes
C(20) C(21) 1.36(2) . . yes
C(20) H(20) 0.95 . . no
C(21) C(22) 1.39(2) . . yes
C(21) H(21) 0.95 . . no
C(22) C(23) 1.38(2) . . yes
C(22) H(22) 0.95 . . no
C(23) C(24) 1.39(2) . . yes
C(23) H(23) 0.95 . . no
C(24) H(24) 0.95 . . no
C(25) C(26) 1.40(2) . . yes
C(25) C(30) 1.37(1) . . yes
C(26) C(27) 1.42(1) . . yes
C(27) C(28) 1.33(2) . . yes
C(27) H(27) 0.95 . . no
C(28) C(29) 1.37(2) . . yes
C(28) H(28) 0.95 . . no
C(29) C(30) 1.42(2) . . yes
C(29) H(29) 0.95 . . no
C(30) H(30) 0.95 . . no
C(31) H(31B) 0.95 . . no
C(31) H(31A) 0.94 . . no
C(31) H(31C) 0.95 . . no
C(40) H(40) 0.95 . . no
C(50) C(50) 1.8465(1) . 2_766 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
Cl(1) C(40) 3.42(2) . 2_655 no
Cl(3) Cl(5) 3.207(5) . . no
Cl(3) Cl(6) 3.526(5) . 2_766 no
C(3) C(3) 3.55(2) . 2_655 no
C(5) C(15) 3.60(2) . 1_554 no
C(6) C(16) 3.56(2) . 1_554 no
C(9) C(9) 3.58(2) . 2_665 no
C(23) C(23) 3.56(2) . 2_656 no
