#------------------------------------------------------------------------------
#$Date: 2016-03-21 09:12:22 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178619 $
#$URL: svn://www.crystallography.net/cod/cif/4/07/30/4073040.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_4073040
loop_
_publ_author_name
'Ohashi, Masato'
'Matsubara, Kouki'
'Suzuki, Hiroharu'
_publ_section_title
;
 Ruthenium Polyhydrido Clusters Having a Bridging Alkylzinc Group,
 [(η5-C5Me5)Ru(μ-H)]3(μ3-ZnR)n(μ3-H)2-nand
 [(η5-C5Me5)Ru]2(μ-ZnR)n(μ-H)4-n(R = Me and Et;n= 1 and 2)
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2330
_journal_paper_doi               10.1021/om070024f
_journal_volume                  26
_journal_year                    2007
_chemical_formula_sum            'C32 H54 Ru3 Zn'
_chemical_formula_weight         807.33
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 104.903(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.237(4)
_cell_length_b                   18.408(4)
_cell_length_c                   11.175(3)
_cell_measurement_temperature    223(2)
_cell_volume                     3426.5(14)
_computing_data_reduction        'teXsan: PROCESS (MSC)'
_computing_molecular_graphics    'ORTEX (P.McArdle, 1995)'
_computing_publication_material  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_refinement  'SHELXL-97/2 (Sheldrick,1997)'
_computing_structure_solution    'DIRDIF 94 PATTY (Beurskens, 1994)'
_diffrn_ambient_temperature      223(2)
_diffrn_measured_fraction_theta_full 0.861
_diffrn_measured_fraction_theta_max 0.861
_diffrn_measurement_device_type  'Rigaku R-AXIS CS'
_diffrn_measurement_method       'Rigaku R-AXIS CS imaging plate detector'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_sigmaI/netI    0.0425
_diffrn_reflns_limit_h_max       24
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            11900
_diffrn_reflns_theta_full        30.03
_diffrn_reflns_theta_max         30.03
_diffrn_reflns_theta_min         1.65
_exptl_absorpt_coefficient_mu    2.006
_exptl_absorpt_correction_T_max  0.5844
_exptl_absorpt_correction_T_min  0.4337
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). ABSCOR - Program for Absorption Correction, Rigaku
        Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            Red
_exptl_crystal_density_diffrn    1.565
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prismatic
_exptl_crystal_F_000             1632
_exptl_crystal_size_max          0.50
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.30
_refine_diff_density_max         0.722
_refine_diff_density_min         -0.779
_refine_diff_density_rms         0.107
_refine_ls_extinction_coef       0.0048(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.079
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     193
_refine_ls_number_reflns         4449
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.078
_refine_ls_R_factor_all          0.0455
_refine_ls_R_factor_gt           0.0430
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0674P)²+3.6060P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1188
_refine_ls_wR_factor_ref         0.1212
_reflns_number_gt                4253
_reflns_number_total             4449
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om070024fsi20070131_044348.cif
_cod_data_source_block           complex3b
_cod_depositor_comments
;
The following automatic conversions were performed:
'_atom_site_symetry_multiplicity' tag replaced with
'_atom_site_symmetry_multiplicity'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 

The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to /home/saulius/struct/CIF-dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_H-M      C2/m
_cod_database_code               4073040
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z'
'x+1/2, y+1/2, z'
'x+1/2, -y+1/2, z'
'-x, -y, -z'
'-x, y, -z'
'-x+1/2, -y+1/2, -z'
'-x+1/2, y+1/2, -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
Ru1 Ru 0.15297(2) 0.0000 0.30797(4) 0.03660(13) Uani 1 2 d S
Ru2 Ru 0.258996(16) 0.074348(14) 0.20732(3) 0.03959(12) Uani 1 1 d .
Zn1 Zn 0.31057(4) 0.0000 0.41644(6) 0.05444(19) Uani 1 2 d S
C1 C 0.3892(5) 0.0000 0.5810(8) 0.096(3) Uani 1 2 d S
C2 C 0.3714(9) 0.0327(8) 0.6838(15) 0.110(4) Uiso 0.50 1 d P
C3 C 0.0229(4) 0.0000 0.2663(7) 0.0688(18) Uani 1 2 d SD
C4 C 0.0499(3) 0.0614(2) 0.3354(6) 0.0704(15) Uani 1 1 d .
C5 C 0.0981(3) 0.0399(4) 0.4485(5) 0.0843(18) Uani 1 1 d .
C6 C -0.0346(5) 0.0000 0.1385(12) 0.191(9) Uani 1 2 d SD
H6A H -0.0893(15) 0.0000 0.148(5) 0.286 Uiso 1 2 d SD
H6B H -0.027(2) -0.0431(5) 0.093(2) 0.286 Uiso 1 1 d D
C7 C 0.0269(5) 0.1389(3) 0.2987(12) 0.169(5) Uani 1 1 d .
H7A H 0.0388 0.1495 0.2203 0.253 Uiso 1 1 calc R
H7B H 0.0572 0.1715 0.3618 0.253 Uiso 1 1 calc R
H7C H -0.0301 0.1455 0.2905 0.253 Uiso 1 1 calc R
C8 C 0.1387(6) 0.0869(8) 0.5564(11) 0.228(8) Uani 1 1 d .
H8A H 0.1784 0.0584 0.6150 0.342 Uiso 1 1 calc R
H8B H 0.0991 0.1052 0.5966 0.342 Uiso 1 1 calc R
H8C H 0.1649 0.1273 0.5272 0.342 Uiso 1 1 calc R
C9 C 0.2650(3) 0.1926(2) 0.2295(4) 0.0568(10) Uani 1 1 d .
C10 C 0.2212(2) 0.17507(19) 0.1064(4) 0.0518(9) Uani 1 1 d .
C11 C 0.2737(3) 0.1365(2) 0.0489(5) 0.0666(12) Uani 1 1 d .
C12 C 0.3507(3) 0.1311(3) 0.1393(7) 0.0827(18) Uani 1 1 d .
C13 C 0.3432(3) 0.1639(3) 0.2493(5) 0.0707(14) Uani 1 1 d .
C14 C 0.2340(5) 0.2372(3) 0.3205(6) 0.098(2) Uani 1 1 d .
H14A H 0.1781 0.2252 0.3130 0.147 Uiso 1 1 calc R
H14B H 0.2385 0.2885 0.3031 0.147 Uiso 1 1 calc R
H14C H 0.2653 0.2267 0.4040 0.147 Uiso 1 1 calc R
C15 C 0.1367(3) 0.1976(3) 0.0429(6) 0.0848(17) Uani 1 1 d .
H15A H 0.1095 0.2132 0.1044 0.127 Uiso 1 1 calc R
H15B H 0.1082 0.1568 -0.0032 0.127 Uiso 1 1 calc R
H15C H 0.1380 0.2374 -0.0135 0.127 Uiso 1 1 calc R
C16 C 0.2553(6) 0.1121(3) -0.0818(6) 0.116(3) Uani 1 1 d .
H16A H 0.2870 0.0695 -0.0880 0.174 Uiso 1 1 calc R
H16B H 0.2681 0.1507 -0.1327 0.174 Uiso 1 1 calc R
H16C H 0.1987 0.1004 -0.1102 0.174 Uiso 1 1 calc R
C17 C 0.4259(5) 0.1003(5) 0.1126(12) 0.167(5) Uani 1 1 d .
H17A H 0.4112 0.0682 0.0416 0.250 Uiso 1 1 calc R
H17B H 0.4560 0.0733 0.1841 0.250 Uiso 1 1 calc R
H17C H 0.4587 0.1397 0.0950 0.250 Uiso 1 1 calc R
C18 C 0.4110(5) 0.1742(4) 0.3667(8) 0.140(4) Uani 1 1 d .
H18A H 0.3900 0.1682 0.4388 0.210 Uiso 1 1 calc R
H18B H 0.4334 0.2225 0.3671 0.210 Uiso 1 1 calc R
H18C H 0.4525 0.1383 0.3688 0.210 Uiso 1 1 calc R
H1 H 0.188(2) 0.0000 0.156(4) 0.013(9) Uiso 1 2 d S
H2 H 0.315(3) 0.0000 0.217(5) 0.039(14) Uiso 1 2 d S
H3 H 0.200(3) 0.077(2) 0.319(5) 0.052(12) Uiso 1 1 d .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0033 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'
Ru Ru -1.2594 0.8363 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Zn Zn 0.2839 1.4301 '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
C5 Ru1 C5 39.8(4) 2 .
C5 Ru1 C3 62.2(2) 2 .
C5 Ru1 C3 62.2(2) . .
C5 Ru1 C4 36.9(2) 2 2
C5 Ru1 C4 63.35(19) . 2
C3 Ru1 C4 36.88(18) . 2
C5 Ru1 C4 63.35(19) 2 .
C5 Ru1 C4 36.9(2) . .
C3 Ru1 C4 36.88(18) . .
C4 Ru1 C4 62.0(2) 2 .
C5 Ru1 Zn1 104.73(15) 2 .
C5 Ru1 Zn1 104.73(15) . .
C3 Ru1 Zn1 166.0(2) . .
C4 Ru1 Zn1 134.56(17) 2 .
C4 Ru1 Zn1 134.56(17) . .
C5 Ru1 Ru2 126.19(15) 2 2
C5 Ru1 Ru2 158.41(19) . 2
C3 Ru1 Ru2 132.25(15) . 2
C4 Ru1 Ru2 116.70(12) 2 2
C4 Ru1 Ru2 164.38(18) . 2
Zn1 Ru1 Ru2 58.67(2) . 2
C5 Ru1 Ru2 158.41(19) 2 .
C5 Ru1 Ru2 126.19(15) . .
C3 Ru1 Ru2 132.25(15) . .
C4 Ru1 Ru2 164.38(18) 2 .
C4 Ru1 Ru2 116.70(12) . .
Zn1 Ru1 Ru2 58.67(2) . .
Ru2 Ru1 Ru2 59.81(2) 2 .
C5 Ru1 H1 158.1(5) 2 .
C5 Ru1 H1 158.1(5) . .
C3 Ru1 H1 110.4(12) . .
C4 Ru1 H1 124.6(9) 2 .
C4 Ru1 H1 124.6(9) . .
Zn1 Ru1 H1 83.6(11) . .
Ru2 Ru1 H1 41.6(8) 2 .
Ru2 Ru1 H1 41.6(8) . .
C5 Ru1 H3 123.2(18) 2 .
C5 Ru1 H3 87.3(17) . .
C3 Ru1 H3 119.2(16) . .
C4 Ru1 H3 148.1(16) 2 .
C4 Ru1 H3 87.1(16) . .
Zn1 Ru1 H3 62.2(16) . .
Ru2 Ru1 H3 95.2(16) 2 .
Ru2 Ru1 H3 38.9(17) . .
H1 Ru1 H3 78.6(18) . .
C13 Ru2 C11 64.2(2) . .
C13 Ru2 C10 63.88(16) . .
C11 Ru2 C10 38.25(17) . .
C13 Ru2 C12 37.7(2) . .
C11 Ru2 C12 38.8(2) . .
C10 Ru2 C12 63.96(18) . .
C13 Ru2 C9 37.79(19) . .
C11 Ru2 C9 63.76(16) . .
C10 Ru2 C9 38.07(15) . .
C12 Ru2 C9 63.1(2) . .
C13 Ru2 Zn1 98.48(13) . .
C11 Ru2 Zn1 154.63(15) . .
C10 Ru2 Zn1 151.75(11) . .
C12 Ru2 Zn1 116.32(17) . .
C9 Ru2 Zn1 114.66(11) . .
C13 Ru2 Ru2 139.54(15) . 2
C11 Ru2 Ru2 121.68(12) . 2
C10 Ru2 Ru2 148.22(11) . 2
C12 Ru2 Ru2 118.52(15) . 2
C9 Ru2 Ru2 173.65(11) . 2
Zn1 Ru2 Ru2 58.986(13) . 2
C13 Ru2 Ru1 140.36(17) . .
C11 Ru2 Ru1 145.53(15) . .
C10 Ru2 Ru1 119.59(11) . .
C12 Ru2 Ru1 175.66(18) . .
C9 Ru2 Ru1 117.80(12) . .
Zn1 Ru2 Ru1 59.34(2) . .
Ru2 Ru2 Ru1 60.095(10) 2 .
C13 Ru2 H1 174.2(14) . .
C11 Ru2 H1 110.1(13) . .
C10 Ru2 H1 112.7(10) . .
C12 Ru2 H1 137.0(14) . .
C9 Ru2 H1 142.1(9) . .
Zn1 Ru2 H1 86.4(12) . .
Ru2 Ru2 H1 41.5(9) 2 .
Ru1 Ru2 H1 45.2(14) . .
C13 Ru2 H2 105.5(15) . .
C11 Ru2 H2 107.4(19) . .
C10 Ru2 H2 145.7(19) . .
C12 Ru2 H2 87.5(16) . .
C9 Ru2 H2 143.2(15) . .
Zn1 Ru2 H2 57(2) . .
Ru2 Ru2 H2 34.6(15) 2 .
Ru1 Ru2 H2 89.9(16) . .
H1 Ru2 H2 74.6(18) . .
C13 Ru2 H3 107.4(13) . .
C11 Ru2 H3 139.2(13) . .
C10 Ru2 H3 101.1(13) . .
C12 Ru2 H3 144.8(13) . .
C9 Ru2 H3 85.3(13) . .
Zn1 Ru2 H3 61.5(14) . .
Ru2 Ru2 H3 91.3(12) 2 .
Ru1 Ru2 H3 34.2(13) . .
H1 Ru2 H3 77.6(19) . .
H2 Ru2 H3 113(2) . .
C1 Zn1 Ru2 144.07(13) . 2
C1 Zn1 Ru2 144.07(13) . .
Ru2 Zn1 Ru2 62.03(3) 2 .
C1 Zn1 Ru1 142.4(3) . .
Ru2 Zn1 Ru1 61.98(2) 2 .
Ru2 Zn1 Ru1 61.98(2) . .
C2 C1 C2 51.0(13) . 2
C2 C1 Zn1 121.3(8) . .
C2 C1 Zn1 121.3(8) 2 .
C2 C2 C1 64.5(6) 2 .
C4 C3 C4 109.9(7) 2 .
C4 C3 C6 124.9(4) 2 .
C4 C3 C6 124.9(4) . .
C4 C3 Ru1 72.5(3) 2 .
C4 C3 Ru1 72.5(3) . .
C6 C3 Ru1 126.3(6) . .
C5 C4 C3 108.4(5) . .
C5 C4 C7 125.0(7) . .
C3 C4 C7 126.5(8) . .
C5 C4 Ru1 70.3(3) . .
C3 C4 Ru1 70.7(3) . .
C7 C4 Ru1 128.0(4) . .
C4 C5 C5 106.6(3) . 2
C4 C5 C8 128.1(9) . .
C5 C5 C8 125.1(8) 2 .
C4 C5 Ru1 72.8(3) . .
C5 C5 Ru1 70.10(18) 2 .
C8 C5 Ru1 125.3(4) . .
C3 C6 H6A 108(3) . .
C3 C6 H6B 110(2) . .
H6A C6 H6B 108.8(18) . .
C4 C7 H7A 109.5 . .
C4 C7 H7B 109.5 . .
H7A C7 H7B 109.5 . .
C4 C7 H7C 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C5 C8 H8A 109.5 . .
C5 C8 H8B 109.5 . .
H8A C8 H8B 109.5 . .
C5 C8 H8C 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C13 C9 C10 108.4(4) . .
C13 C9 C14 126.0(5) . .
C10 C9 C14 125.6(5) . .
C13 C9 Ru2 70.2(3) . .
C10 C9 Ru2 70.6(2) . .
C14 C9 Ru2 127.1(3) . .
C9 C10 C11 107.8(4) . .
C9 C10 C15 126.9(5) . .
C11 C10 C15 125.0(5) . .
C9 C10 Ru2 71.3(2) . .
C11 C10 Ru2 70.7(2) . .
C15 C10 Ru2 127.1(3) . .
C10 C11 C12 107.0(4) . .
C10 C11 C16 126.4(6) . .
C12 C11 C16 126.3(6) . .
C10 C11 Ru2 71.0(2) . .
C12 C11 Ru2 71.0(3) . .
C16 C11 Ru2 127.1(3) . .
C13 C12 C11 107.9(4) . .
C13 C12 C17 127.6(7) . .
C11 C12 C17 124.4(8) . .
C13 C12 Ru2 70.4(3) . .
C11 C12 Ru2 70.2(2) . .
C17 C12 Ru2 128.5(4) . .
C12 C13 C9 108.8(5) . .
C12 C13 C18 125.6(6) . .
C9 C13 C18 125.3(6) . .
C12 C13 Ru2 72.0(3) . .
C9 C13 Ru2 72.0(2) . .
C18 C13 Ru2 127.0(4) . .
C9 C14 H14A 109.5 . .
C9 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C9 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C10 C15 H15A 109.5 . .
C10 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C10 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C5 2.160(4) 2
Ru1 C5 2.161(4) .
Ru1 C3 2.169(6) .
Ru1 C4 2.192(4) 2
Ru1 C4 2.192(4) .
Ru1 Zn1 2.6749(10) .
Ru1 Ru2 2.7451(6) 2
Ru1 Ru2 2.7451(6) .
Ru1 H1 1.95(4) .
Ru1 H3 1.61(4) .
Ru2 C13 2.167(4) .
Ru2 C11 2.177(4) .
Ru2 C10 2.181(4) .
Ru2 C12 2.187(4) .
Ru2 C9 2.190(4) .
Ru2 Zn1 2.6562(8) .
Ru2 Ru2 2.7372(8) 2
Ru2 H1 1.83(3) .
Ru2 H2 1.66(3) .
Ru2 H3 1.80(5) .
Zn1 C1 1.984(8) .
Zn1 Ru2 2.6562(8) 2
C1 C2 1.400(17) .
C1 C2 1.400(17) 2
C2 C2 1.20(3) 2
C3 C4 1.380(7) 2
C3 C4 1.380(7) .
C3 C6 1.515(14) .
C4 C5 1.379(9) .
C4 C7 1.509(7) .
C5 C5 1.471(13) 2
C5 C8 1.502(8) .
C6 H6A 0.977(19) .
C6 H6B 0.966(12) .
C7 H7A 0.9700 .
C7 H7B 0.9700 .
C7 H7C 0.9700 .
C8 H8A 0.9700 .
C8 H8B 0.9700 .
C8 H8C 0.9700 .
C9 C13 1.411(7) .
C9 C10 1.426(6) .
C9 C14 1.509(7) .
C10 C11 1.428(6) .
C10 C15 1.505(6) .
C11 C12 1.449(8) .
C11 C16 1.482(8) .
C12 C13 1.406(9) .
C12 C17 1.513(8) .
C13 C18 1.527(8) .
C14 H14A 0.9700 .
C14 H14B 0.9700 .
C14 H14C 0.9700 .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C15 H15C 0.9700 .
C16 H16A 0.9700 .
C16 H16B 0.9700 .
C16 H16C 0.9700 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C17 H17C 0.9700 .
C18 H18A 0.9700 .
C18 H18B 0.9700 .
C18 H18C 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
C5 Ru1 Ru2 C13 -20.2(4) 2 .
C5 Ru1 Ru2 C13 22.2(3) . .
C3 Ru1 Ru2 C13 105.5(3) . .
C4 Ru1 Ru2 C13 145.7(5) 2 .
C4 Ru1 Ru2 C13 64.4(3) . .
Zn1 Ru1 Ru2 C13 -63.5(2) . .
Ru2 Ru1 Ru2 C13 -133.0(2) 2 .
C5 Ru1 Ru2 C11 -143.8(4) 2 .
C5 Ru1 Ru2 C11 -101.4(3) . .
C3 Ru1 Ru2 C11 -18.0(3) . .
C4 Ru1 Ru2 C11 22.1(5) 2 .
C4 Ru1 Ru2 C11 -59.2(3) . .
Zn1 Ru1 Ru2 C11 173.0(2) . .
Ru2 Ru1 Ru2 C11 103.5(2) 2 .
C5 Ru1 Ru2 C10 -104.0(4) 2 .
C5 Ru1 Ru2 C10 -61.6(3) . .
C3 Ru1 Ru2 C10 21.7(2) . .
C4 Ru1 Ru2 C10 61.9(4) 2 .
C4 Ru1 Ru2 C10 -19.4(2) . .
Zn1 Ru1 Ru2 C10 -147.25(13) . .
Ru2 Ru1 Ru2 C10 143.24(12) 2 .
C5 Ru1 Ru2 C9 -60.4(4) 2 .
C5 Ru1 Ru2 C9 -18.0(3) . .
C3 Ru1 Ru2 C9 65.4(2) . .
C4 Ru1 Ru2 C9 105.5(4) 2 .
C4 Ru1 Ru2 C9 24.2(2) . .
Zn1 Ru1 Ru2 C9 -103.64(13) . .
Ru2 Ru1 Ru2 C9 -173.15(13) 2 .
C5 Ru1 Ru2 Zn1 43.2(4) 2 .
C5 Ru1 Ru2 Zn1 85.6(2) . .
C3 Ru1 Ru2 Zn1 169.00(18) . .
C4 Ru1 Ru2 Zn1 -150.9(4) 2 .
C4 Ru1 Ru2 Zn1 127.8(2) . .
Ru2 Ru1 Ru2 Zn1 -69.510(16) 2 .
C5 Ru1 Ru2 Ru2 112.7(4) 2 2
C5 Ru1 Ru2 Ru2 155.1(2) . 2
C3 Ru1 Ru2 Ru2 -121.49(19) . 2
C4 Ru1 Ru2 Ru2 -81.4(4) 2 2
C4 Ru1 Ru2 Ru2 -162.7(2) . 2
Zn1 Ru1 Ru2 Ru2 69.510(16) . 2
C13 Ru2 Zn1 C1 2.2(4) . .
C11 Ru2 Zn1 C1 46.7(5) . .
C10 Ru2 Zn1 C1 -46.3(5) . .
C12 Ru2 Zn1 C1 37.1(4) . .
C9 Ru2 Zn1 C1 -33.7(4) . .
Ru2 Ru2 Zn1 C1 146.1(4) 2 .
Ru1 Ru2 Zn1 C1 -142.6(4) . .
C13 Ru2 Zn1 Ru2 -143.90(17) . 2
C11 Ru2 Zn1 Ru2 -99.4(3) . 2
C10 Ru2 Zn1 Ru2 167.6(2) . 2
C12 Ru2 Zn1 Ru2 -108.9(2) . 2
C9 Ru2 Zn1 Ru2 -179.73(14) . 2
Ru1 Ru2 Zn1 Ru2 71.343(13) . 2
C13 Ru2 Zn1 Ru1 144.76(18) . .
C11 Ru2 Zn1 Ru1 -170.7(3) . .
C10 Ru2 Zn1 Ru1 96.3(2) . .
C12 Ru2 Zn1 Ru1 179.7(2) . .
C9 Ru2 Zn1 Ru1 108.93(14) . .
Ru2 Ru2 Zn1 Ru1 -71.343(13) 2 .
C5 Ru1 Zn1 C1 -20.60(19) 2 .
C5 Ru1 Zn1 C1 20.60(19) . .
C3 Ru1 Zn1 C1 0.000(1) . .
C4 Ru1 Zn1 C1 -46.31(19) 2 .
C4 Ru1 Zn1 C1 46.31(19) . .
Ru2 Ru1 Zn1 C1 -144.292(12) 2 .
Ru2 Ru1 Zn1 C1 144.292(12) . .
C5 Ru1 Zn1 Ru2 123.69(19) 2 2
C5 Ru1 Zn1 Ru2 164.90(19) . 2
C3 Ru1 Zn1 Ru2 144.292(12) . 2
C4 Ru1 Zn1 Ru2 97.98(19) 2 2
C4 Ru1 Zn1 Ru2 -169.39(19) . 2
Ru2 Ru1 Zn1 Ru2 -71.42(2) . 2
C5 Ru1 Zn1 Ru2 -164.90(19) 2 .
C5 Ru1 Zn1 Ru2 -123.69(19) . .
C3 Ru1 Zn1 Ru2 -144.292(12) . .
C4 Ru1 Zn1 Ru2 169.39(19) 2 .
C4 Ru1 Zn1 Ru2 -97.98(19) . .
Ru2 Ru1 Zn1 Ru2 71.42(2) 2 .
Ru2 Zn1 C1 C2 -148.8(7) 2 .
Ru2 Zn1 C1 C2 88.4(10) . .
Ru1 Zn1 C1 C2 -30.2(8) . .
Ru2 Zn1 C1 C2 -88.4(10) 2 2
Ru2 Zn1 C1 C2 148.8(7) . 2
Ru1 Zn1 C1 C2 30.2(8) . 2
Zn1 C1 C2 C2 106.9(7) . 2
C5 Ru1 C3 C4 -36.5(4) 2 2
C5 Ru1 C3 C4 -81.8(4) . 2
C4 Ru1 C3 C4 -118.3(7) . 2
Zn1 Ru1 C3 C4 -59.2(4) . 2
Ru2 Ru1 C3 C4 78.5(4) 2 2
Ru2 Ru1 C3 C4 163.2(3) . 2
C5 Ru1 C3 C4 81.8(4) 2 .
C5 Ru1 C3 C4 36.5(4) . .
C4 Ru1 C3 C4 118.3(7) 2 .
Zn1 Ru1 C3 C4 59.2(4) . .
Ru2 Ru1 C3 C4 -163.2(3) 2 .
Ru2 Ru1 C3 C4 -78.5(4) . .
C5 Ru1 C3 C6 -157.4(2) 2 .
C5 Ru1 C3 C6 157.4(2) . .
C4 Ru1 C3 C6 -120.8(4) 2 .
C4 Ru1 C3 C6 120.8(4) . .
Zn1 Ru1 C3 C6 180.0 . .
Ru2 Ru1 C3 C6 -42.34(12) 2 .
Ru2 Ru1 C3 C6 42.34(13) . .
C4 C3 C4 C5 2.8(7) 2 .
C6 C3 C4 C5 177.1(7) . .
Ru1 C3 C4 C5 -60.4(3) . .
C4 C3 C4 C7 -173.3(4) 2 .
C6 C3 C4 C7 1.0(11) . .
Ru1 C3 C4 C7 123.4(6) . .
C4 C3 C4 Ru1 63.2(4) 2 .
C6 C3 C4 Ru1 -122.5(7) . .
C5 Ru1 C4 C5 40.3(4) 2 .
C3 Ru1 C4 C5 118.8(5) . .
C4 Ru1 C4 C5 82.0(3) 2 .
Zn1 Ru1 C4 C5 -44.3(4) . .
Ru2 Ru1 C4 C5 171.4(3) 2 .
Ru2 Ru1 C4 C5 -115.5(3) . .
C5 Ru1 C4 C3 -78.5(4) 2 .
C5 Ru1 C4 C3 -118.8(5) . .
C4 Ru1 C4 C3 -36.7(4) 2 .
Zn1 Ru1 C4 C3 -163.0(3) . .
Ru2 Ru1 C4 C3 52.7(6) 2 .
Ru2 Ru1 C4 C3 125.7(3) . .
C5 Ru1 C4 C7 159.8(9) 2 .
C5 Ru1 C4 C7 119.5(9) . .
C3 Ru1 C4 C7 -121.7(10) . .
C4 Ru1 C4 C7 -158.4(7) 2 .
Zn1 Ru1 C4 C7 75.3(9) . .
Ru2 Ru1 C4 C7 -69.0(10) 2 .
Ru2 Ru1 C4 C7 4.0(9) . .
C3 C4 C5 C5 -1.7(4) . 2
C7 C4 C5 C5 174.5(4) . 2
Ru1 C4 C5 C5 -62.34(12) . 2
C3 C4 C5 C8 -177.6(5) . .
C7 C4 C5 C8 -1.4(8) . .
Ru1 C4 C5 C8 121.7(5) . .
C3 C4 C5 Ru1 60.7(4) . .
C7 C4 C5 Ru1 -123.1(5) . .
C5 Ru1 C5 C4 -115.5(3) 2 .
C3 Ru1 C5 C4 -36.5(3) . .
C4 Ru1 C5 C4 -78.1(4) 2 .
Zn1 Ru1 C5 C4 149.0(3) . .
Ru2 Ru1 C5 C4 -173.7(2) 2 .
Ru2 Ru1 C5 C4 87.3(3) . .
C3 Ru1 C5 C5 79.02(16) . 2
C4 Ru1 C5 C5 37.4(2) 2 2
C4 Ru1 C5 C5 115.5(3) . 2
Zn1 Ru1 C5 C5 -95.46(9) . 2
Ru2 Ru1 C5 C5 -58.2(3) 2 2
Ru2 Ru1 C5 C5 -157.19(19) . 2
C5 Ru1 C5 C8 119.6(10) 2 .
C3 Ru1 C5 C8 -161.4(11) . .
C4 Ru1 C5 C8 156.9(11) 2 .
C4 Ru1 C5 C8 -124.9(11) . .
Zn1 Ru1 C5 C8 24.1(10) . .
Ru2 Ru1 C5 C8 61.3(12) 2 .
Ru2 Ru1 C5 C8 -37.6(11) . .
C11 Ru2 C9 C13 -81.0(3) . .
C10 Ru2 C9 C13 -118.8(4) . .
C12 Ru2 C9 C13 -37.4(3) . .
Zn1 Ru2 C9 C13 70.9(3) . .
Ru1 Ru2 C9 C13 137.8(3) . .
C13 Ru2 C9 C10 118.8(4) . .
C11 Ru2 C9 C10 37.8(3) . .
C12 Ru2 C9 C10 81.4(3) . .
Zn1 Ru2 C9 C10 -170.3(2) . .
Ru1 Ru2 C9 C10 -103.4(2) . .
C13 Ru2 C9 C14 -120.7(6) . .
C11 Ru2 C9 C14 158.3(6) . .
C10 Ru2 C9 C14 120.5(6) . .
C12 Ru2 C9 C14 -158.1(6) . .
Zn1 Ru2 C9 C14 -49.8(5) . .
Ru1 Ru2 C9 C14 17.1(5) . .
C13 C9 C10 C11 -1.3(4) . .
C14 C9 C10 C11 176.1(4) . .
Ru2 C9 C10 C11 -61.6(3) . .
C13 C9 C10 C15 -176.8(4) . .
C14 C9 C10 C15 0.5(6) . .
Ru2 C9 C10 C15 122.8(4) . .
C13 C9 C10 Ru2 60.3(3) . .
C14 C9 C10 Ru2 -122.3(4) . .
C13 Ru2 C10 C9 -36.7(3) . .
C11 Ru2 C10 C9 -117.5(4) . .
C12 Ru2 C10 C9 -78.9(3) . .
Zn1 Ru2 C10 C9 18.8(4) . .
Ru2 Ru2 C10 C9 178.4(2) 2 .
Ru1 Ru2 C10 C9 98.3(2) . .
C13 Ru2 C10 C11 80.7(3) . .
C12 Ru2 C10 C11 38.6(3) . .
C9 Ru2 C10 C11 117.5(4) . .
Zn1 Ru2 C10 C11 136.3(3) . .
Ru2 Ru2 C10 C11 -64.1(3) 2 .
Ru1 Ru2 C10 C11 -144.2(2) . .
C13 Ru2 C10 C15 -159.4(5) . .
C11 Ru2 C10 C15 119.9(6) . .
C12 Ru2 C10 C15 158.5(5) . .
C9 Ru2 C10 C15 -122.7(6) . .
Zn1 Ru2 C10 C15 -103.8(5) . .
Ru2 Ru2 C10 C15 55.8(6) 2 .
Ru1 Ru2 C10 C15 -24.3(5) . .
C9 C10 C11 C12 -0.3(4) . .
C15 C10 C11 C12 175.4(4) . .
Ru2 C10 C11 C12 -62.3(3) . .
C9 C10 C11 C16 -175.4(4) . .
C15 C10 C11 C16 0.3(7) . .
Ru2 C10 C11 C16 122.6(5) . .
C9 C10 C11 Ru2 62.0(3) . .
C15 C10 C11 Ru2 -122.3(4) . .
C13 Ru2 C11 C10 -79.8(3) . .
C12 Ru2 C11 C10 -116.5(4) . .
C9 Ru2 C11 C10 -37.6(2) . .
Zn1 Ru2 C11 C10 -130.2(3) . .
Ru2 Ru2 C11 C10 146.16(19) 2 .
Ru1 Ru2 C11 C10 64.0(3) . .
C13 Ru2 C11 C12 36.7(3) . .
C10 Ru2 C11 C12 116.5(4) . .
C9 Ru2 C11 C12 78.9(3) . .
Zn1 Ru2 C11 C12 -13.7(5) . .
Ru2 Ru2 C11 C12 -97.3(3) 2 .
Ru1 Ru2 C11 C12 -179.5(3) . .
C13 Ru2 C11 C16 158.4(7) . .
C10 Ru2 C11 C16 -121.8(7) . .
C12 Ru2 C11 C16 121.7(7) . .
C9 Ru2 C11 C16 -159.4(7) . .
Zn1 Ru2 C11 C16 107.9(6) . .
Ru2 Ru2 C11 C16 24.4(7) 2 .
Ru1 Ru2 C11 C16 -57.8(7) . .
C10 C11 C12 C13 1.7(5) . .
C16 C11 C12 C13 176.9(4) . .
Ru2 C11 C12 C13 -60.6(3) . .
C10 C11 C12 C17 -174.0(5) . .
C16 C11 C12 C17 1.1(8) . .
Ru2 C11 C12 C17 123.7(5) . .
C10 C11 C12 Ru2 62.3(3) . .
C16 C11 C12 Ru2 -122.6(5) . .
C11 Ru2 C12 C13 118.3(4) . .
C10 Ru2 C12 C13 80.3(3) . .
C9 Ru2 C12 C13 37.6(3) . .
Zn1 Ru2 C12 C13 -68.2(3) . .
Ru2 Ru2 C12 C13 -135.5(3) 2 .
C13 Ru2 C12 C11 -118.3(4) . .
C10 Ru2 C12 C11 -38.1(3) . .
C9 Ru2 C12 C11 -80.8(3) . .
Zn1 Ru2 C12 C11 173.5(2) . .
Ru2 Ru2 C12 C11 106.1(3) 2 .
C13 Ru2 C12 C17 122.9(10) . .
C11 Ru2 C12 C17 -118.7(10) . .
C10 Ru2 C12 C17 -156.8(9) . .
C9 Ru2 C12 C17 160.5(9) . .
Zn1 Ru2 C12 C17 54.7(9) . .
Ru2 Ru2 C12 C17 -12.6(9) 2 .
C11 C12 C13 C9 -2.5(5) . .
C17 C12 C13 C9 173.0(5) . .
Ru2 C12 C13 C9 -63.0(3) . .
C11 C12 C13 C18 -176.5(4) . .
C17 C12 C13 C18 -0.9(8) . .
Ru2 C12 C13 C18 123.0(5) . .
C11 C12 C13 Ru2 60.5(3) . .
C17 C12 C13 Ru2 -124.0(5) . .
C10 C9 C13 C12 2.4(5) . .
C14 C9 C13 C12 -175.0(4) . .
Ru2 C9 C13 C12 63.0(3) . .
C10 C9 C13 C18 176.4(4) . .
C14 C9 C13 C18 -1.0(7) . .
Ru2 C9 C13 C18 -123.0(5) . .
C10 C9 C13 Ru2 -60.6(3) . .
C14 C9 C13 Ru2 122.0(4) . .
C11 Ru2 C13 C12 -37.8(3) . .
C10 Ru2 C13 C12 -80.5(3) . .
C9 Ru2 C13 C12 -117.5(4) . .
Zn1 Ru2 C13 C12 122.7(3) . .
Ru2 Ru2 C13 C12 71.6(4) 2 .
Ru1 Ru2 C13 C12 173.8(2) . .
C11 Ru2 C13 C9 79.7(3) . .
C10 Ru2 C13 C9 37.0(3) . .
C12 Ru2 C13 C9 117.5(4) . .
Zn1 Ru2 C13 C9 -119.8(3) . .
Ru2 Ru2 C13 C9 -170.85(18) 2 .
Ru1 Ru2 C13 C9 -68.7(3) . .
C11 Ru2 C13 C18 -159.2(7) . .
C10 Ru2 C13 C18 158.0(7) . .
C12 Ru2 C13 C18 -121.5(8) . .
C9 Ru2 C13 C18 121.0(8) . .
Zn1 Ru2 C13 C18 1.3(7) . .
Ru2 Ru2 C13 C18 -49.8(8) 2 .
Ru1 Ru2 C13 C18 52.4(8) . .
