#------------------------------------------------------------------------------
#$Date: 2019-11-22 18:45:18 +0200 (Fri, 22 Nov 2019) $
#$Revision: 231216 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/51/62/4516262.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_4516262
loop_
_publ_author_name
'Bacchi, Alessia'
'Bourne, Susan'
'Cantoni, Giulia'
'Cavallone, Silvia A. M.'
'Mazza, Simona'
'Mehlana, Gift'
'Pelagatti, Paolo'
'Righi, Lara'
_publ_section_title
;
 Reversible Guest Removal and Selective Guest Exchange with a Covalent
 Dinuclear Wheel-and-Axle Metallorganic Host Constituted by Half-Sandwich
 Ru(II) Wheels Connected by a Linear Diphosphine Axle
;
_journal_issue                   4
_journal_name_full               'Crystal Growth & Design'
_journal_page_first              1876
_journal_paper_doi               10.1021/acs.cgd.5b00059
_journal_volume                  15
_journal_year                    2015
_chemical_formula_moiety         'C56 H56 Cl4 P2 Ru2, 2(C H2 Cl2)'
_chemical_formula_sum            'C58 H60 Cl8 P2 Ru2'
_chemical_formula_weight         1304.74
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_audit_creation_date             2015-02-19
_audit_creation_method
;
Olex2 1.2
(compiled 2015.01.26 svn.r3150 for OlexSys, GUI svn.r4998)
;
_cell_angle_alpha                90
_cell_angle_beta                 99.02(2)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   9.709(16)
_cell_length_b                   18.44(3)
_cell_length_c                   16.53(3)
_cell_measurement_reflns_used    260
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      11.033
_cell_measurement_theta_min      2.209
_cell_volume                     2923(9)
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2008)'
_computing_structure_solution    'SIR2011 (Burla et al., 2007)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.347
_diffrn_measured_fraction_theta_max 0.991
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.2658
_diffrn_reflns_av_unetI/netI     0.1546
_diffrn_reflns_Laue_measured_fraction_full 0.347
_diffrn_reflns_Laue_measured_fraction_max 0.991
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            12620
_diffrn_reflns_point_group_measured_fraction_full 0.347
_diffrn_reflns_point_group_measured_fraction_max 0.991
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         17.537
_diffrn_reflns_theta_min         1.666
_exptl_absorpt_coefficient_mu    0.974
_exptl_absorpt_correction_T_max  1
_exptl_absorpt_correction_T_min  0.67
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS procedure'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.483
_exptl_crystal_description       'thin platelet'
_exptl_crystal_F_000             1324
_exptl_crystal_size_max          0.05
_exptl_crystal_size_mid          0.04
_exptl_crystal_size_min          0.02
_refine_diff_density_max         0.406
_refine_diff_density_min         -0.362
_refine_diff_density_rms         0.087
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     268
_refine_ls_number_reflns         1838
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.013
_refine_ls_R_factor_all          0.1838
_refine_ls_R_factor_gt           0.0827
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.1243P)²] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1879
_refine_ls_wR_factor_ref         0.2478
_reflns_Friedel_coverage         0.000
_reflns_number_gt                887
_reflns_number_total             1838
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            cg5b00059_si_002.cif
_cod_data_source_block           cmpd-1.2dcm
_cod_original_cell_volume        2922(9)
_cod_database_code               4516262
_shelxl_version_number           2013-4
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2. Restrained distances
 C1S-Cl3 = C1S-Cl4
 1.8 with sigma of 0.02
 C1-C4
 2.55 with sigma of 0.02
 C8-C3
 2.55 with sigma of 0.02
 C7-C8 = C3-C8
 2.55 with sigma of 0.04
 C3-C8 \\sim C7-C8
 with sigma of 0.02
3. Restrained planarity
 C1, C4, C5, C6
 with sigma of 0.1
 C3, C2, C7, C8
 with sigma of 0.1
4. Uiso/Uaniso restraints and constraints
Uanis(C11) \\sim Ueq: with sigma of 0.1 and sigma for terminal atoms of 0.2
5.a Ternary CH refined with riding coordinates:
 C8(H8)
5.b Secondary CH2 refined with riding coordinates:
 C1S(H1SA,H1SB)
5.c Me refined with riding coordinates:
 C1(H1A,H1B,H1C), C9(H9A,H9B,H9C), C10(H10A,H10B,H10C)
5.d Aromatic/amide H refined with riding coordinates:
 C3(H3), C4(H4), C6(H6), C7(H7), C12(H12), C13(H13), C15(H15), C16(H16),
 C18(H18), C19(H19), C20(H20), C21(H21), C22(H22), C24(H24), C25(H25), C26(H26),
  C27(H27), C28(H28)
5.e Fitted hexagon refined as free rotating group:
 C2(C3,C4,C5,C6,C7), C11(C12,C13,C14,C15,C16), C17(C18,C19,C20,C21,C22),
 C23(C24,C25,C26,C27,C28)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
Ru1 Ru 0.8480(3) 0.10339(14) 0.38305(13) 0.1189(14) Uani 1 1 d . .
P1 P 0.7747(8) 0.1346(4) 0.2422(4) 0.095(3) Uani 1 1 d . .
Cl1 Cl 0.7504(9) -0.0171(4) 0.3496(4) 0.139(3) Uani 1 1 d . .
Cl2 Cl 1.0651(8) 0.0633(4) 0.3431(4) 0.139(3) Uani 1 1 d . .
C8 C 1.115(4) 0.185(2) 0.483(2) 0.28(4) Uani 1 1 d D .
H8 H 1.1607 0.1395 0.4740 0.337 Uiso 1 1 calc R .
C2 C 0.960(3) 0.1667(12) 0.4775(12) 0.22(3) Uani 1 1 d . .
C3 C 0.858(3) 0.2112(9) 0.4353(12) 0.15(2) Uani 1 1 d DG .
H3 H 0.8827 0.2537 0.4111 0.181 Uiso 1 1 calc R .
C4 C 0.718(3) 0.1921(14) 0.4294(13) 0.18(2) Uani 1 1 d DG .
H4 H 0.6495 0.2219 0.4012 0.216 Uiso 1 1 calc R .
C5 C 0.681(3) 0.1285(15) 0.4657(14) 0.23(3) Uani 1 1 d G .
C6 C 0.783(3) 0.0840(11) 0.5079(13) 0.19(3) Uani 1 1 d G .
H6 H 0.7583 0.0415 0.5321 0.232 Uiso 1 1 calc R .
C7 C 0.923(3) 0.1031(12) 0.5138(12) 0.18(3) Uani 1 1 d DG .
H7 H 0.9915 0.0733 0.5420 0.218 Uiso 1 1 calc R .
C11 C 0.8577(15) 0.0870(18) 0.1617(12) 0.080(8) Uani 1 1 d . U
C12 C 0.885(2) 0.1272(9) 0.0948(19) 0.133(12) Uani 1 1 d G .
H12 H 0.8666 0.1768 0.0923 0.160 Uiso 1 1 calc R .
C13 C 0.940(2) 0.0934(18) 0.0318(11) 0.127(12) Uani 1 1 d G .
H13 H 0.9584 0.1203 -0.0129 0.152 Uiso 1 1 calc R .
C14 C 0.9677(16) 0.0194(19) 0.0357(14) 0.085(8) Uani 1 1 d G .
C15 C 0.940(2) -0.0208(9) 0.103(2) 0.110(10) Uani 1 1 d G .
H15 H 0.9588 -0.0703 0.1051 0.132 Uiso 1 1 calc R .
C16 C 0.885(2) 0.0130(17) 0.1655(13) 0.122(12) Uani 1 1 d G .
H16 H 0.8670 -0.0138 0.2103 0.146 Uiso 1 1 calc R .
C17 C 0.590(2) 0.1192(12) 0.205(3) 0.106(11) Uani 1 1 d . .
C18 C 0.548(4) 0.1295(16) 0.121(2) 0.27(3) Uani 1 1 d G .
H18 H 0.6135 0.1409 0.0877 0.325 Uiso 1 1 calc R .
C19 C 0.408(5) 0.123(2) 0.0879(14) 0.38(5) Uani 1 1 d G .
H19 H 0.3798 0.1297 0.0321 0.461 Uiso 1 1 calc R .
C20 C 0.310(2) 0.1058(17) 0.138(3) 0.25(3) Uani 1 1 d G .
H20 H 0.2167 0.1013 0.1158 0.296 Uiso 1 1 calc R .
C21 C 0.353(4) 0.0955(13) 0.222(3) 0.20(2) Uani 1 1 d G .
H21 H 0.2873 0.0841 0.2552 0.239 Uiso 1 1 calc R .
C22 C 0.493(5) 0.1022(14) 0.2550(13) 0.167(15) Uani 1 1 d G .
H22 H 0.5210 0.0953 0.3108 0.200 Uiso 1 1 calc R .
C23 C 0.810(5) 0.2283(13) 0.2269(12) 0.149(17) Uani 1 1 d . .
C24 C 0.688(3) 0.269(2) 0.2133(13) 0.27(3) Uani 1 1 d G .
H24 H 0.6016 0.2459 0.2082 0.320 Uiso 1 1 calc R .
C25 C 0.694(3) 0.344(2) 0.2075(17) 0.42(6) Uani 1 1 d G .
H25 H 0.6127 0.3712 0.1984 0.502 Uiso 1 1 calc R .
C26 C 0.823(5) 0.3785(13) 0.2152(15) 0.40(6) Uani 1 1 d G .
H26 H 0.8276 0.4288 0.2113 0.476 Uiso 1 1 calc R .
C27 C 0.945(3) 0.338(3) 0.2287(13) 0.29(4) Uani 1 1 d G .
H27 H 1.0313 0.3609 0.2339 0.354 Uiso 1 1 calc R .
C28 C 0.938(3) 0.263(2) 0.2346(14) 0.23(3) Uani 1 1 d G .
H28 H 1.0201 0.2356 0.2437 0.279 Uiso 1 1 calc R .
C1 C 0.527(4) 0.106(2) 0.464(2) 0.32(3) Uani 1 1 d D .
H1A H 0.4676 0.1430 0.4355 0.481 Uiso 1 1 calc R .
H1B H 0.5082 0.1017 0.5187 0.481 Uiso 1 1 calc R .
H1C H 0.5102 0.0610 0.4356 0.481 Uiso 1 1 calc R .
C9 C 1.180(5) 0.209(2) 0.577(3) 0.34(3) Uani 1 1 d . .
H9A H 1.2193 0.1673 0.6071 0.515 Uiso 1 1 calc R .
H9B H 1.1070 0.2287 0.6041 0.515 Uiso 1 1 calc R .
H9C H 1.2510 0.2450 0.5763 0.515 Uiso 1 1 calc R .
C10 C 1.167(6) 0.239(3) 0.425(3) 0.34(4) Uani 1 1 d . .
H10A H 1.1908 0.2138 0.3783 0.506 Uiso 1 1 calc R .
H10B H 1.2480 0.2639 0.4526 0.506 Uiso 1 1 calc R .
H10C H 1.0952 0.2741 0.4068 0.506 Uiso 1 1 calc R .
Cl4 Cl 0.612(2) 0.4040(10) 0.4121(9) 0.359(10) Uani 1 1 d D .
Cl3 Cl 0.3884(17) 0.3347(11) 0.3252(14) 0.396(12) Uani 1 1 d D .
C1S C 0.453(4) 0.4250(17) 0.345(4) 0.48(6) Uani 1 1 d D .
H1SA H 0.3911 0.4544 0.3717 0.576 Uiso 1 1 calc R .
H1SB H 0.4711 0.4490 0.2953 0.576 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'
Cl Cl 0.1484 0.1585 '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_3
P1 Ru1 Cl1 87.3(3) .
P1 Ru1 Cl2 87.0(3) .
Cl2 Ru1 Cl1 89.1(3) .
C2 Ru1 P1 128.8(7) .
C2 Ru1 Cl1 143.8(7) .
C2 Ru1 Cl2 90.0(7) .
C2 Ru1 C3 37.9(3) .
C2 Ru1 C4 66.5(4) .
C2 Ru1 C5 77.4(3) .
C2 Ru1 C6 66.4(4) .
C2 Ru1 C7 37.9(3) .
C3 Ru1 P1 98.9(6) .
C3 Ru1 Cl1 156.4(8) .
C3 Ru1 Cl2 113.8(9) .
C3 Ru1 C4 36.4(3) .
C3 Ru1 C5 64.7(4) .
C3 Ru1 C6 77.5(3) .
C3 Ru1 C7 67.5(4) .
C4 Ru1 P1 93.4(6) .
C4 Ru1 Cl1 121.0(9) .
C4 Ru1 Cl2 149.9(9) .
C4 Ru1 C5 35.2(3) .
C4 Ru1 C6 63.9(4) .
C5 Ru1 P1 113.2(7) .
C5 Ru1 Cl1 91.9(7) .
C5 Ru1 Cl2 159.8(7) .
C6 Ru1 P1 146.7(8) .
C6 Ru1 Cl1 84.8(6) .
C6 Ru1 Cl2 125.1(8) .
C6 Ru1 C5 35.1(3) .
C7 Ru1 P1 166.1(6) .
C7 Ru1 Cl1 106.3(7) .
C7 Ru1 Cl2 95.8(7) .
C7 Ru1 C4 77.5(3) .
C7 Ru1 C5 64.7(4) .
C7 Ru1 C6 36.3(3) .
C11 P1 Ru1 118.8(10) .
C17 P1 Ru1 114.8(14) .
C17 P1 C11 101.2(13) .
C23 P1 Ru1 109.6(8) .
C23 P1 C11 103.8(15) .
C23 P1 C17 107.6(17) .
C2 C8 H8 105.1 .
C2 C8 C9 110(3) .
C9 C8 H8 105.1 .
C10 C8 H8 105.1 .
C10 C8 C2 122(3) .
C10 C8 C9 108(3) .
C8 C2 Ru1 124.0(16) .
C3 C2 Ru1 73.1(7) .
C3 C2 C8 121.0(8) .
C3 C2 C7 120.0 .
C7 C2 Ru1 73.4(7) .
C7 C2 C8 119.0(8) .
Ru1 C3 H3 126.9 .
C2 C3 Ru1 69.0(8) .
C2 C3 H3 120.0 .
C4 C3 Ru1 76.0(8) .
C4 C3 C2 120.0 .
C4 C3 H3 120.0 .
Ru1 C4 H4 130.4 .
C3 C4 Ru1 67.6(7) .
C3 C4 H4 120.0 .
C5 C4 Ru1 74.6(7) .
C5 C4 C3 120.0 .
C5 C4 H4 120.0 .
C4 C5 Ru1 70.3(7) .
C4 C5 C6 120.0 .
C4 C5 C1 122(2) .
C6 C5 Ru1 70.5(7) .
C6 C5 C1 118(2) .
C1 C5 Ru1 134.2(16) .
Ru1 C6 H6 130.6 .
C5 C6 Ru1 74.4(7) .
C5 C6 H6 120.0 .
C7 C6 Ru1 67.6(7) .
C7 C6 C5 120.0 .
C7 C6 H6 120.0 .
Ru1 C7 H7 127.1 .
C2 C7 Ru1 68.8(7) .
C2 C7 H7 120.0 .
C6 C7 Ru1 76.0(8) .
C6 C7 C2 120.0 .
C6 C7 H7 120.0 .
C12 C11 P1 118(3) .
C12 C11 C16 120.0 .
C16 C11 P1 122(3) .
C11 C12 H12 120.0 .
C13 C12 C11 120.0 .
C13 C12 H12 120.0 .
C12 C13 H13 120.0 .
C12 C13 C14 120.0 .
C14 C13 H13 120.0 .
C13 C14 C14 120(6) 3_755
C15 C14 C13 120.0 .
C15 C14 C14 120(6) 3_755
C14 C15 H15 120.0 .
C16 C15 C14 120.0 .
C16 C15 H15 120.0 .
C11 C16 H16 120.0 .
C15 C16 C11 120.0 .
C15 C16 H16 120.0 .
C18 C17 P1 116(3) .
C18 C17 C22 120.0 .
C22 C17 P1 124(3) .
C17 C18 H18 120.0 .
C17 C18 C19 120.0 .
C19 C18 H18 120.0 .
C18 C19 H19 120.0 .
C20 C19 C18 120.0 .
C20 C19 H19 120.0 .
C19 C20 H20 120.0 .
C21 C20 C19 120.0 .
C21 C20 H20 120.0 .
C20 C21 H21 120.0 .
C20 C21 C22 120.0 .
C22 C21 H21 120.0 .
C17 C22 H22 120.0 .
C21 C22 C17 120.0 .
C21 C22 H22 120.0 .
C24 C23 P1 112(3) .
C24 C23 C28 120.0 .
C28 C23 P1 128(3) .
C23 C24 H24 120.0 .
C23 C24 C25 120.0 .
C25 C24 H24 120.0 .
C24 C25 H25 120.0 .
C26 C25 C24 120.0 .
C26 C25 H25 120.0 .
C25 C26 H26 120.0 .
C25 C26 C27 120.0 .
C27 C26 H26 120.0 .
C26 C27 H27 120.0 .
C26 C27 C28 120.0 .
C28 C27 H27 120.0 .
C23 C28 H28 120.0 .
C27 C28 C23 120.0 .
C27 C28 H28 120.0 .
C5 C1 H1A 109.5 .
C5 C1 H1B 109.5 .
C5 C1 H1C 109.5 .
H1A C1 H1B 109.5 .
H1A C1 H1C 109.5 .
H1B C1 H1C 109.5 .
C8 C9 H9A 109.5 .
C8 C9 H9B 109.5 .
C8 C9 H9C 109.5 .
H9A C9 H9B 109.5 .
H9A C9 H9C 109.5 .
H9B C9 H9C 109.5 .
C8 C10 H10A 109.5 .
C8 C10 H10B 109.5 .
C8 C10 H10C 109.5 .
H10A C10 H10B 109.5 .
H10A C10 H10C 109.5 .
H10B C10 H10C 109.5 .
Cl4 C1S H1SA 112.0 .
Cl4 C1S H1SB 112.0 .
Cl3 C1S Cl4 99.0(18) .
Cl3 C1S H1SA 112.0 .
Cl3 C1S H1SB 112.0 .
H1SA C1S H1SB 109.7 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 P1 2.395(8) .
Ru1 Cl1 2.444(9) .
Ru1 Cl2 2.422(8) .
Ru1 C2 2.11(2) .
Ru1 C3 2.163(18) .
Ru1 C4 2.27(2) .
Ru1 C5 2.33(2) .
Ru1 C6 2.28(2) .
Ru1 C7 2.17(2) .
P1 C11 1.878(15) .
P1 C17 1.82(2) .
P1 C23 1.79(2) .
C8 H8 0.9800 .
C8 C2 1.53(2) .
C8 C9 1.65(5) .
C8 C10 1.53(5) .
C2 C3 1.3900 .
C2 C7 1.3900 .
C3 H3 0.9300 .
C3 C4 1.3900 .
C4 H4 0.9300 .
C4 C5 1.3900 .
C5 C6 1.3900 .
C5 C1 1.54(3) .
C6 H6 0.9300 .
C6 C7 1.3900 .
C7 H7 0.9300 .
C11 C12 1.3900 .
C11 C16 1.3900 .
C12 H12 0.9300 .
C12 C13 1.3900 .
C13 H13 0.9300 .
C13 C14 1.3900 .
C14 C14 1.59(3) 3_755
C14 C15 1.3900 .
C15 H15 0.9300 .
C15 C16 1.3900 .
C16 H16 0.9300 .
C17 C18 1.3900 .
C17 C22 1.3900 .
C18 H18 0.9300 .
C18 C19 1.3900 .
C19 H19 0.9300 .
C19 C20 1.3900 .
C20 H20 0.9300 .
C20 C21 1.3900 .
C21 H21 0.9300 .
C21 C22 1.3900 .
C22 H22 0.9300 .
C23 C24 1.3900 .
C23 C28 1.3900 .
C24 H24 0.9300 .
C24 C25 1.3900 .
C25 H25 0.9300 .
C25 C26 1.3900 .
C26 H26 0.9300 .
C26 C27 1.3900 .
C27 H27 0.9300 .
C27 C28 1.3900 .
C28 H28 0.9300 .
C1 H1A 0.9600 .
C1 H1B 0.9600 .
C1 H1C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
Cl4 C1S 1.79(2) .
Cl3 C1S 1.79(2) .
C1S H1SA 0.9700 .
C1S H1SB 0.9700 .
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_4
Ru1 P1 C11 C12 -142.0(8) . .
Ru1 P1 C11 C16 41.3(12) . .
Ru1 P1 C17 C18 -173.4(13) . .
Ru1 P1 C17 C22 10.2(16) . .
Ru1 P1 C23 C24 -108.5(13) . .
Ru1 P1 C23 C28 65.0(16) . .
Ru1 C2 C3 C4 58.6(7) . .
Ru1 C2 C7 C6 -58.5(7) . .
Ru1 C3 C4 C5 55.2(6) . .
Ru1 C4 C5 C6 51.9(7) . .
Ru1 C4 C5 C1 -130.5(19) . .
Ru1 C5 C6 C7 51.8(6) . .
Ru1 C6 C7 C2 54.9(6) . .
P1 C11 C12 C13 -176.8(11) . .
P1 C11 C16 C15 176.7(12) . .
P1 C17 C18 C19 -176.6(16) . .
P1 C17 C22 C21 176.3(18) . .
P1 C23 C24 C25 174.2(14) . .
P1 C23 C28 C27 -173.1(17) . .
C8 C2 C3 Ru1 119.9(18) . .
C8 C2 C3 C4 178.5(19) . .
C8 C2 C7 Ru1 -120.1(18) . .
C8 C2 C7 C6 -178.6(19) . .
C2 C3 C4 Ru1 -55.2(6) . .
C2 C3 C4 C5 0.0 . .
C3 C2 C7 Ru1 58.5(7) . .
C3 C2 C7 C6 0.0 . .
C3 C4 C5 Ru1 -51.9(7) . .
C3 C4 C5 C6 0.0 . .
C3 C4 C5 C1 178(2) . .
C4 C5 C6 Ru1 -51.8(6) . .
C4 C5 C6 C7 0.0 . .
C5 C6 C7 Ru1 -54.9(6) . .
C5 C6 C7 C2 0.0 . .
C7 C2 C3 Ru1 -58.6(7) . .
C7 C2 C3 C4 0.0 . .
C11 P1 C17 C18 -44.2(19) . .
C11 P1 C17 C22 139.4(17) . .
C11 P1 C23 C24 123.6(13) . .
C11 P1 C23 C28 -62.9(14) . .
C11 C12 C13 C14 0.0 . .
C12 C11 C16 C15 0.0 . .
C12 C13 C14 C14 -179(2) . 3_755
C12 C13 C14 C15 0.0 . .
C13 C14 C15 C16 0.0 . .
C14 C14 C15 C16 179(2) 3_755 .
C14 C15 C16 C11 0.0 . .
C16 C11 C12 C13 0.0 . .
C17 P1 C11 C12 91.4(14) . .
C17 P1 C11 C16 -85.3(14) . .
C17 P1 C23 C24 16.9(19) . .
C17 P1 C23 C28 -169.6(18) . .
C17 C18 C19 C20 0.0 . .
C18 C17 C22 C21 0.0 . .
C18 C19 C20 C21 0.0 . .
C19 C20 C21 C22 0.0 . .
C20 C21 C22 C17 0.0 . .
C22 C17 C18 C19 0.0 . .
C23 P1 C11 C12 -20.0(17) . .
C23 P1 C11 C16 163.3(16) . .
C23 P1 C17 C18 64.3(18) . .
C23 P1 C17 C22 -112.1(16) . .
C23 C24 C25 C26 0.0 . .
C24 C23 C28 C27 0.0 . .
C24 C25 C26 C27 0.0 . .
C25 C26 C27 C28 0.0 . .
C26 C27 C28 C23 0.0 . .
C28 C23 C24 C25 0.0 . .
C1 C5 C6 Ru1 130.5(18) . .
C1 C5 C6 C7 -177.7(19) . .
C9 C8 C2 Ru1 -160(3) . .
C9 C8 C2 C3 110(3) . .
C9 C8 C2 C7 -71(3) . .
C10 C8 C2 Ru1 72(4) . .
C10 C8 C2 C3 -18(4) . .
C10 C8 C2 C7 161(3) . .
