#------------------------------------------------------------------------------
#$Date: 2019-07-10 12:42:35 +0300 (Wed, 10 Jul 2019) $
#$Revision: 216935 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/12/38/7123819.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_7123819
loop_
_publ_author_name
'Ruba, Eva'
'Mereiter, Kurt'
'Schmid, Roland'
'Kirchner, Karl'
_publ_section_title
;
 Reactivity of a metallacyclopentatriene intermediate:
 metal-to-ligand-to-metal re-migration of a phosphine ligand versus a 1,2
 hydrogen shift
;
_journal_name_full               'Chemical Communications'
_journal_page_first              1996
_journal_page_last               1997
_journal_paper_doi               10.1039/B104927P
_journal_volume                  19
_journal_year                    2001
_chemical_formula_moiety         '(C33 H34 P Ru)+ , (P F6)-'
_chemical_formula_sum            'C33 H34 F6 P2 Ru'
_chemical_formula_weight         707.61
_space_group_IT_number           4
_space_group_name_Hall           'P 2yb'
_space_group_name_H-M_alt        'P 1 21 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'P 1 21 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 92.86(1)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   9.952(5)
_cell_length_b                   15.229(7)
_cell_length_c                   10.059(6)
_cell_measurement_reflns_used    5860
_cell_measurement_temperature    297(2)
_cell_measurement_theta_max      29.5
_cell_measurement_theta_min      2.4
_cell_volume                     1522.6(14)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT, SADABS, and XPREP'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      297(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type
'BRUKER SMART 3-circle with CCD area detector'
_diffrn_measurement_method       'omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0251
_diffrn_reflns_av_sigmaI/netI    0.0236
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -12
_diffrn_reflns_number            17563
_diffrn_reflns_theta_full        27.00
_diffrn_reflns_theta_max         27.00
_diffrn_reflns_theta_min         2.03
_exptl_absorpt_coefficient_mu    0.679
_exptl_absorpt_correction_T_max  0.93
_exptl_absorpt_correction_T_min  0.65
_exptl_absorpt_correction_type   'semi-empirical from equivalents (SADABS)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.543
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             720
_exptl_crystal_preparation
;    
 crystallized from dichloromethane / diethylether by gas diffusion
 of diethylether at room temperature. Thin plates of red color.
;
_exptl_crystal_size_max          0.06
_exptl_crystal_size_mid          0.50
_exptl_crystal_size_min          0.60
_refine_diff_density_max         1.343
_refine_diff_density_min         -0.859
_refine_diff_density_rms         0.068
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.01(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.084
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     385
_refine_ls_number_reflns         6607
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.084
_refine_ls_R_factor_all          0.0448
_refine_ls_R_factor_gt           0.0411
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0460P)²+1.3962P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0993
_refine_ls_wR_factor_ref         0.1023
_reflns_number_gt                6238
_reflns_number_total             6607
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            Chem-Comm-2001-19-1996.cif
_cod_data_source_block           compd3b
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_sg_symbol_H-M      P2(1)
_cod_database_code               7123819
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, 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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.23995(3) 0.13147(2) 0.66685(3) 0.04645(10) Uani 1 1 d . . .
P1 P 0.28928(10) 0.25010(7) 0.52677(9) 0.0368(2) Uani 1 1 d . . .
C1 C 0.0195(4) 0.1348(7) 0.6055(5) 0.0783(17) Uani 1 1 d . . .
H1 H -0.0222 0.1673 0.5301 0.094 Uiso 1 1 calc R . .
C2 C 0.0351(6) 0.1643(4) 0.7369(7) 0.0730(16) Uani 1 1 d . . .
H2 H 0.0068 0.2217 0.7696 0.088 Uiso 1 1 calc R . .
C3 C 0.0871(6) 0.0965(4) 0.8146(6) 0.0704(16) Uani 1 1 d . . .
H3 H 0.1020 0.0980 0.9116 0.084 Uiso 1 1 calc R . .
C4 C 0.1067(6) 0.0254(5) 0.7358(7) 0.0825(19) Uani 1 1 d . . .
H4 H 0.1360 -0.0328 0.7667 0.099 Uiso 1 1 calc R . .
C5 C 0.0609(7) 0.0469(5) 0.6051(8) 0.089(2) Uani 1 1 d . . .
H5 H 0.0544 0.0068 0.5289 0.107 Uiso 1 1 calc R . .
C6 C 0.3355(6) 0.2509(4) 0.8834(6) 0.0712(14) Uani 1 1 d . . .
H6A H 0.4088 0.2620 0.9469 0.107 Uiso 1 1 calc R . .
H6B H 0.2546 0.2413 0.9294 0.107 Uiso 1 1 calc R . .
H6C H 0.3235 0.3006 0.8253 0.107 Uiso 1 1 calc R . .
C7 C 0.3651(5) 0.1737(3) 0.8056(5) 0.0568(11) Uani 1 1 d . . .
C8 C 0.4849(4) 0.1257(4) 0.8445(4) 0.0532(9) Uani 1 1 d . . .
C9 C 0.5884(6) 0.1524(5) 0.9517(7) 0.083(2) Uani 1 1 d . . .
H9A H 0.6090 0.2142 0.9419 0.100 Uiso 1 1 calc R . .
H9B H 0.5512 0.1442 1.0382 0.100 Uiso 1 1 calc R . .
C10 C 0.7152(7) 0.1003(6) 0.9458(9) 0.109(3) Uani 1 1 d . . .
H10A H 0.7622 0.1173 0.8676 0.131 Uiso 1 1 calc R . .
H10B H 0.7733 0.1128 1.0237 0.131 Uiso 1 1 calc R . .
C11 C 0.6861(10) 0.0060(8) 0.9402(12) 0.145(4) Uani 1 1 d . . .
H11A H 0.6343 -0.0106 1.0154 0.174 Uiso 1 1 calc R . .
H11B H 0.7697 -0.0269 0.9454 0.174 Uiso 1 1 calc R . .
C12 C 0.6053(10) -0.0165(8) 0.8080(11) 0.151(5) Uani 1 1 d . . .
H12A H 0.6662 -0.0184 0.7358 0.181 Uiso 1 1 calc R . .
H12B H 0.5650 -0.0742 0.8155 0.181 Uiso 1 1 calc R . .
C13 C 0.4966(5) 0.0500(5) 0.7763(6) 0.0722(15) Uani 1 1 d . . .
C14 C 0.3910(6) 0.0248(4) 0.6760(6) 0.0661(13) Uani 1 1 d D . .
H14 H 0.347(6) -0.032(2) 0.692(6) 0.079 Uiso 1 1 d D . .
C15 C 0.3896(6) 0.0577(4) 0.5463(6) 0.0670(13) Uani 1 1 d G . .
H15A H 0.3469 0.0226 0.4757 0.080 Uiso 1 1 d G . .
H15B H 0.4608 0.0954 0.5167 0.080 Uiso 1 1 d G . .
C16 C 0.1875(4) 0.2497(3) 0.3700(4) 0.0405(8) Uani 1 1 d . . .
C17 C 0.1607(5) 0.1711(3) 0.3050(4) 0.0514(10) Uani 1 1 d . . .
H17 H 0.1939 0.1191 0.3423 0.062 Uiso 1 1 calc R . .
C18 C 0.0848(6) 0.1685(4) 0.1847(5) 0.0589(12) Uani 1 1 d . . .
H18 H 0.0677 0.1149 0.1426 0.071 Uiso 1 1 calc R . .
C19 C 0.0355(5) 0.2445(4) 0.1285(4) 0.0567(11) Uani 1 1 d . . .
H19 H -0.0158 0.2428 0.0488 0.068 Uiso 1 1 calc R . .
C20 C 0.0622(5) 0.3228(4) 0.1903(5) 0.0582(12) Uani 1 1 d . . .
H20 H 0.0300 0.3743 0.1507 0.070 Uiso 1 1 calc R . .
C21 C 0.1364(5) 0.3274(3) 0.3112(5) 0.0496(10) Uani 1 1 d . . .
H21 H 0.1521 0.3813 0.3526 0.060 Uiso 1 1 calc R . .
C22 C 0.2580(4) 0.3598(3) 0.5923(4) 0.0430(9) Uani 1 1 d . . .
C23 C 0.1317(5) 0.3795(4) 0.6379(5) 0.0592(12) Uani 1 1 d . . .
H23 H 0.0645 0.3370 0.6329 0.071 Uiso 1 1 calc R . .
C24 C 0.1046(6) 0.4610(4) 0.6905(6) 0.0686(15) Uani 1 1 d . . .
H24 H 0.0203 0.4725 0.7225 0.082 Uiso 1 1 calc R . .
C25 C 0.2010(7) 0.5250(4) 0.6956(6) 0.0749(16) Uani 1 1 d . . .
H25 H 0.1824 0.5800 0.7304 0.090 Uiso 1 1 calc R . .
C26 C 0.3238(8) 0.5077(5) 0.6497(10) 0.107(3) Uani 1 1 d . . .
H26 H 0.3890 0.5515 0.6514 0.129 Uiso 1 1 calc R . .
C27 C 0.3533(6) 0.4249(4) 0.6001(8) 0.089(2) Uani 1 1 d . . .
H27 H 0.4391 0.4136 0.5717 0.106 Uiso 1 1 calc R . .
C28 C 0.4617(4) 0.2594(3) 0.4711(4) 0.0412(8) Uani 1 1 d . . .
C29 C 0.5673(4) 0.2659(4) 0.5647(5) 0.0580(12) Uani 1 1 d . . .
H29 H 0.5498 0.2647 0.6546 0.070 Uiso 1 1 calc R . .
C30 C 0.6990(5) 0.2742(4) 0.5276(6) 0.0668(14) Uani 1 1 d . . .
H30 H 0.7688 0.2789 0.5922 0.080 Uiso 1 1 calc R . .
C31 C 0.7255(5) 0.2753(4) 0.3966(6) 0.0646(14) Uani 1 1 d . . .
H31 H 0.8133 0.2825 0.3710 0.078 Uiso 1 1 calc R . .
C32 C 0.6217(6) 0.2658(4) 0.3016(6) 0.0682(15) Uani 1 1 d . . .
H32 H 0.6401 0.2649 0.2119 0.082 Uiso 1 1 calc R . .
C33 C 0.4901(5) 0.2577(3) 0.3390(4) 0.0535(10) Uani 1 1 d . . .
H33 H 0.4208 0.2510 0.2743 0.064 Uiso 1 1 calc R . .
P2 P 0.74835(15) 0.41735(10) 0.89404(14) 0.0615(3) Uani 1 1 d . . .
F1 F 0.7685(5) 0.4540(3) 0.7501(4) 0.1026(13) Uani 1 1 d . . .
F2 F 0.7325(6) 0.3800(4) 1.0382(4) 0.136(2) Uani 1 1 d . . .
F3 F 0.6053(5) 0.3834(4) 0.8480(5) 0.1259(18) Uani 1 1 d . . .
F4 F 0.8938(4) 0.4510(3) 0.9407(4) 0.0889(11) Uani 1 1 d . . .
F5 F 0.8115(6) 0.3284(3) 0.8498(5) 0.1212(16) Uani 1 1 d . . .
F6 F 0.6889(5) 0.5090(4) 0.9377(7) 0.137(2) Uani 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'
F F 0.0171 0.0103 '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_1
_geom_angle_site_symmetry_3
C7 Ru C14 78.6(2) . .
C7 Ru C4 112.9(2) . .
C14 Ru C4 82.4(3) . .
C7 Ru C3 92.0(2) . .
C14 Ru C3 106.3(2) . .
C4 Ru C3 35.5(3) . .
C7 Ru C2 105.2(2) . .
C14 Ru C2 140.9(2) . .
C4 Ru C2 59.9(3) . .
C3 Ru C2 35.8(2) . .
C7 Ru C1 140.8(3) . .
C14 Ru C1 132.8(3) . .
C4 Ru C1 60.9(3) . .
C3 Ru C1 60.2(2) . .
C2 Ru C1 36.2(2) . .
C7 Ru C5 149.1(3) . .
C14 Ru C5 96.8(3) . .
C4 Ru C5 36.6(3) . .
C3 Ru C5 59.7(3) . .
C2 Ru C5 59.8(3) . .
C1 Ru C5 36.2(3) . .
C7 Ru C15 97.7(2) . .
C14 Ru C15 36.3(2) . .
C4 Ru C15 103.0(3) . .
C3 Ru C15 136.3(2) . .
C2 Ru C15 155.4(2) . .
C1 Ru C15 121.5(3) . .
C5 Ru C15 95.8(3) . .
C7 Ru P1 91.75(16) . .
C14 Ru P1 115.23(17) . .
C4 Ru P1 152.68(18) . .
C3 Ru P1 138.25(17) . .
C2 Ru P1 103.66(16) . .
C1 Ru P1 92.75(19) . .
C5 Ru P1 117.2(2) . .
C15 Ru P1 84.15(16) . .
C22 P1 C16 102.49(19) . .
C22 P1 C28 102.59(19) . .
C16 P1 C28 102.86(18) . .
C22 P1 Ru 116.13(13) . .
C16 P1 Ru 112.93(14) . .
C28 P1 Ru 117.84(13) . .
C2 C1 C5 106.9(5) . .
C2 C1 Ru 71.8(3) . .
C5 C1 Ru 72.3(3) . .
C2 C1 H1 126.4 . .
C5 C1 H1 126.4 . .
Ru C1 H1 126.4 . .
C3 C2 C1 108.4(6) . .
C3 C2 Ru 72.0(3) . .
C1 C2 Ru 72.0(3) . .
C3 C2 H2 125.7 . .
C1 C2 H2 125.7 . .
Ru C2 H2 125.7 . .
C4 C3 C2 109.0(6) . .
C4 C3 Ru 71.4(3) . .
C2 C3 Ru 72.2(3) . .
C4 C3 H3 125.4 . .
C2 C3 H3 125.4 . .
Ru C3 H3 125.4 . .
C3 C4 C5 108.0(6) . .
C3 C4 Ru 73.1(3) . .
C5 C4 Ru 73.2(3) . .
C3 C4 H4 125.7 . .
C5 C4 H4 125.7 . .
Ru C4 H4 125.7 . .
C1 C5 C4 107.5(6) . .
C1 C5 Ru 71.5(3) . .
C4 C5 Ru 70.2(3) . .
C1 C5 H5 126.2 . .
C4 C5 H5 126.2 . .
Ru C5 H5 126.2 . .
C7 C6 H6A 109.5 . .
C7 C6 H6B 109.5 . .
H6A C6 H6B 109.5 . .
C7 C6 H6C 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C8 C7 C6 117.0(5) . .
C8 C7 Ru 121.5(4) . .
C6 C7 Ru 121.2(4) . .
C13 C8 C7 112.8(4) . .
C13 C8 C9 121.3(5) . .
C7 C8 C9 125.8(6) . .
C10 C9 C8 112.1(6) . .
C10 C9 H9A 109.2 . .
C8 C9 H9A 109.2 . .
C10 C9 H9B 109.2 . .
C8 C9 H9B 109.2 . .
H9A C9 H9B 107.9 . .
C11 C10 C9 110.9(7) . .
C11 C10 H10A 109.5 . .
C9 C10 H10A 109.5 . .
C11 C10 H10B 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 108.1 . .
C10 C11 C12 109.9(10) . .
C10 C11 H11A 109.7 . .
C12 C11 H11A 109.7 . .
C10 C11 H11B 109.7 . .
C12 C11 H11B 109.7 . .
H11A C11 H11B 108.2 . .
C13 C12 C11 111.6(7) . .
C13 C12 H12A 109.3 . .
C11 C12 H12A 109.3 . .
C13 C12 H12B 109.3 . .
C11 C12 H12B 109.3 . .
H12A C12 H12B 108.0 . .
C8 C13 C14 119.7(5) . .
C8 C13 C12 123.2(6) . .
C14 C13 C12 116.8(6) . .
C15 C14 C13 121.3(6) . .
C15 C14 Ru 73.9(3) . .
C13 C14 Ru 107.3(4) . .
C15 C14 H14 119(4) . .
C13 C14 H14 115(4) . .
Ru C14 H14 110(4) . .
C14 C15 Ru 69.8(3) . .
C14 C15 H15A 118.0 . .
Ru C15 H15A 112.9 . .
C14 C15 H15B 121.7 . .
Ru C15 H15B 112.3 . .
H15A C15 H15B 113.7 . .
C17 C16 C21 118.1(4) . .
C17 C16 P1 119.7(3) . .
C21 C16 P1 122.2(3) . .
C16 C17 C18 121.3(4) . .
C16 C17 H17 119.4 . .
C18 C17 H17 119.4 . .
C19 C18 C17 120.0(5) . .
C19 C18 H18 120.0 . .
C17 C18 H18 120.0 . .
C20 C19 C18 119.6(4) . .
C20 C19 H19 120.2 . .
C18 C19 H19 120.2 . .
C19 C20 C21 121.6(5) . .
C19 C20 H20 119.2 . .
C21 C20 H20 119.2 . .
C20 C21 C16 119.3(5) . .
C20 C21 H21 120.3 . .
C16 C21 H21 120.3 . .
C27 C22 C23 117.3(5) . .
C27 C22 P1 123.5(4) . .
C23 C22 P1 119.2(4) . .
C24 C23 C22 121.1(5) . .
C24 C23 H23 119.5 . .
C22 C23 H23 119.5 . .
C25 C24 C23 120.3(5) . .
C25 C24 H24 119.8 . .
C23 C24 H24 119.8 . .
C26 C25 C24 119.5(5) . .
C26 C25 H25 120.2 . .
C24 C25 H25 120.2 . .
C25 C26 C27 120.6(6) . .
C25 C26 H26 119.7 . .
C27 C26 H26 119.7 . .
C22 C27 C26 121.2(6) . .
C22 C27 H27 119.4 . .
C26 C27 H27 119.4 . .
C33 C28 C29 118.4(4) . .
C33 C28 P1 122.3(3) . .
C29 C28 P1 119.3(3) . .
C28 C29 C30 121.4(4) . .
C28 C29 H29 119.3 . .
C30 C29 H29 119.3 . .
C31 C30 C29 119.7(5) . .
C31 C30 H30 120.2 . .
C29 C30 H30 120.2 . .
C30 C31 C32 119.7(5) . .
C30 C31 H31 120.1 . .
C32 C31 H31 120.1 . .
C31 C32 C33 120.4(5) . .
C31 C32 H32 119.8 . .
C33 C32 H32 119.8 . .
C28 C33 C32 120.3(5) . .
C28 C33 H33 119.9 . .
C32 C33 H33 119.9 . .
F3 P2 F5 90.1(3) . .
F3 P2 F2 91.3(3) . .
F5 P2 F2 90.5(3) . .
F3 P2 F1 90.0(3) . .
F5 P2 F1 88.5(3) . .
F2 P2 F1 178.4(3) . .
F3 P2 F4 179.5(3) . .
F5 P2 F4 89.5(3) . .
F2 P2 F4 88.6(3) . .
F1 P2 F4 90.1(2) . .
F3 P2 F6 91.6(3) . .
F5 P2 F6 178.1(3) . .
F2 P2 F6 90.4(4) . .
F1 P2 F6 90.5(3) . .
F4 P2 F6 88.9(3) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru C7 1.934(5) .
Ru C14 2.212(6) .
Ru C4 2.222(6) .
Ru C3 2.243(5) .
Ru C2 2.247(6) .
Ru C1 2.250(4) .
Ru C5 2.261(6) .
Ru C15 2.265(6) .
Ru P1 2.3578(13) .
P1 C22 1.828(5) .
P1 C16 1.831(4) .
P1 C28 1.837(4) .
C1 C2 1.397(10) .
C1 C5 1.401(12) .
C1 H1 0.9800 .
C2 C3 1.380(8) .
C2 H2 0.9800 .
C3 C4 1.361(10) .
C3 H3 0.9800 .
C4 C5 1.408(10) .
C4 H4 0.9800 .
C5 H5 0.9800 .
C6 C7 1.451(8) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C7 C8 1.437(7) .
C8 C13 1.349(9) .
C8 C9 1.510(7) .
C9 C10 1.494(10) .
C9 H9A 0.9700 .
C9 H9B 0.9700 .
C10 C11 1.465(14) .
C10 H10A 0.9700 .
C10 H10B 0.9700 .
C11 C12 1.558(12) .
C11 H11A 0.9700 .
C11 H11B 0.9700 .
C12 C13 1.505(10) .
C12 H12A 0.9700 .
C12 H12B 0.9700 .
C13 C14 1.471(8) .
C14 C15 1.397(8) .
C14 H14 0.986(10) .
C15 H15A 0.9700 .
C15 H15B 0.9700 .
C16 C17 1.383(6) .
C16 C21 1.405(6) .
C17 C18 1.394(7) .
C17 H17 0.9300 .
C18 C19 1.369(8) .
C18 H18 0.9300 .
C19 C20 1.364(8) .
C19 H19 0.9300 .
C20 C21 1.393(7) .
C20 H20 0.9300 .
C21 H21 0.9300 .
C22 C27 1.372(7) .
C22 C23 1.392(6) .
C23 C24 1.382(8) .
C23 H23 0.9300 .
C24 C25 1.366(9) .
C24 H24 0.9300 .
C25 C26 1.353(10) .
C25 H25 0.9300 .
C26 C27 1.393(8) .
C26 H26 0.9300 .
C27 H27 0.9300 .
C28 C33 1.373(6) .
C28 C29 1.379(6) .
C29 C30 1.386(7) .
C29 H29 0.9300 .
C30 C31 1.357(8) .
C30 H30 0.9300 .
C31 C32 1.380(8) .
C31 H31 0.9300 .
C32 C33 1.385(7) .
C32 H32 0.9300 .
C33 H33 0.9300 .
P2 F3 1.563(4) .
P2 F5 1.568(5) .
P2 F2 1.573(4) .
P2 F1 1.574(4) .
P2 F4 1.584(4) .
P2 F6 1.587(5) .
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
C7 Ru P1 C22 -59.0(2) . . . .
C14 Ru P1 C22 -137.2(2) . . . .
C4 Ru P1 C22 96.3(5) . . . .
C3 Ru P1 C22 36.0(3) . . . .
C2 Ru P1 C22 47.1(2) . . . .
C1 Ru P1 C22 82.0(3) . . . .
C5 Ru P1 C22 109.9(3) . . . .
C15 Ru P1 C22 -156.6(2) . . . .
C7 Ru P1 C16 -176.9(2) . . . .
C14 Ru P1 C16 104.8(2) . . . .
C4 Ru P1 C16 -21.7(5) . . . .
C3 Ru P1 C16 -82.0(3) . . . .
C2 Ru P1 C16 -70.9(2) . . . .
C1 Ru P1 C16 -35.9(3) . . . .
C5 Ru P1 C16 -8.0(3) . . . .
C15 Ru P1 C16 85.5(2) . . . .
C7 Ru P1 C28 63.3(2) . . . .
C14 Ru P1 C28 -15.0(2) . . . .
C4 Ru P1 C28 -141.5(5) . . . .
C3 Ru P1 C28 158.2(3) . . . .
C2 Ru P1 C28 169.3(2) . . . .
C1 Ru P1 C28 -155.7(3) . . . .
C5 Ru P1 C28 -127.8(3) . . . .
C15 Ru P1 C28 -34.3(2) . . . .
C7 Ru C1 C2 -13.4(7) . . . .
C14 Ru C1 C2 121.7(5) . . . .
C4 Ru C1 C2 77.9(4) . . . .
C3 Ru C1 C2 36.9(4) . . . .
C5 Ru C1 C2 115.3(6) . . . .
C15 Ru C1 C2 165.6(4) . . . .
P1 Ru C1 C2 -109.6(4) . . . .
C7 Ru C1 C5 -128.7(5) . . . .
C14 Ru C1 C5 6.4(5) . . . .
C4 Ru C1 C5 -37.4(4) . . . .
C3 Ru C1 C5 -78.4(4) . . . .
C2 Ru C1 C5 -115.3(6) . . . .
C15 Ru C1 C5 50.4(5) . . . .
P1 Ru C1 C5 135.2(4) . . . .
C5 C1 C2 C3 1.1(6) . . . .
Ru C1 C2 C3 -63.2(4) . . . .
C5 C1 C2 Ru 64.2(4) . . . .
C7 Ru C2 C3 -71.7(4) . . . .
C14 Ru C2 C3 18.8(6) . . . .
C4 Ru C2 C3 36.3(4) . . . .
C1 Ru C2 C3 117.0(6) . . . .
C5 Ru C2 C3 78.9(4) . . . .
C15 Ru C2 C3 86.4(6) . . . .
P1 Ru C2 C3 -167.3(4) . . . .
C7 Ru C2 C1 171.3(5) . . . .
C14 Ru C2 C1 -98.2(5) . . . .
C4 Ru C2 C1 -80.7(5) . . . .
C3 Ru C2 C1 -117.0(6) . . . .
C5 Ru C2 C1 -38.1(5) . . . .
C15 Ru C2 C1 -30.6(8) . . . .
P1 Ru C2 C1 75.6(4) . . . .
C1 C2 C3 C4 0.9(7) . . . .
Ru C2 C3 C4 -62.3(4) . . . .
C1 C2 C3 Ru 63.2(4) . . . .
C7 Ru C3 C4 -128.5(4) . . . .
C14 Ru C3 C4 -49.8(4) . . . .
C2 Ru C3 C4 118.0(6) . . . .
C1 Ru C3 C4 80.6(5) . . . .
C5 Ru C3 C4 38.6(4) . . . .
C15 Ru C3 C4 -25.2(5) . . . .
P1 Ru C3 C4 136.6(3) . . . .
C7 Ru C3 C2 113.5(4) . . . .
C14 Ru C3 C2 -167.8(4) . . . .
C4 Ru C3 C2 -118.0(6) . . . .
C1 Ru C3 C2 -37.3(4) . . . .
C5 Ru C3 C2 -79.4(4) . . . .
C15 Ru C3 C2 -143.1(4) . . . .
P1 Ru C3 C2 18.7(5) . . . .
C2 C3 C4 C5 -2.5(7) . . . .
Ru C3 C4 C5 -65.4(4) . . . .
C2 C3 C4 Ru 62.8(4) . . . .
C7 Ru C4 C3 58.1(4) . . . .
C14 Ru C4 C3 132.3(4) . . . .
C2 Ru C4 C3 -36.7(4) . . . .
C1 Ru C4 C3 -78.5(4) . . . .
C5 Ru C4 C3 -115.5(6) . . . .
C15 Ru C4 C3 162.4(4) . . . .
P1 Ru C4 C3 -94.9(6) . . . .
C7 Ru C4 C5 173.6(4) . . . .
C14 Ru C4 C5 -112.2(5) . . . .
C3 Ru C4 C5 115.5(6) . . . .
C2 Ru C4 C5 78.8(5) . . . .
C1 Ru C4 C5 36.9(5) . . . .
C15 Ru C4 C5 -82.1(5) . . . .
P1 Ru C4 C5 20.6(8) . . . .
C2 C1 C5 C4 -2.5(7) . . . .
Ru C1 C5 C4 61.3(4) . . . .
C2 C1 C5 Ru -63.9(4) . . . .
C3 C4 C5 C1 3.1(7) . . . .
Ru C4 C5 C1 -62.2(4) . . . .
C3 C4 C5 Ru 65.3(4) . . . .
C7 Ru C5 C1 105.6(6) . . . .
C14 Ru C5 C1 -175.3(4) . . . .
C4 Ru C5 C1 117.2(6) . . . .
C3 Ru C5 C1 79.8(4) . . . .
C2 Ru C5 C1 38.2(4) . . . .
C15 Ru C5 C1 -138.7(4) . . . .
P1 Ru C5 C1 -52.3(4) . . . .
C7 Ru C5 C4 -11.6(8) . . . .
C14 Ru C5 C4 67.5(5) . . . .
C3 Ru C5 C4 -37.4(4) . . . .
C2 Ru C5 C4 -79.1(5) . . . .
C1 Ru C5 C4 -117.2(6) . . . .
C15 Ru C5 C4 104.1(5) . . . .
P1 Ru C5 C4 -169.5(4) . . . .
C14 Ru C7 C8 1.8(4) . . . .
C4 Ru C7 C8 78.4(5) . . . .
C3 Ru C7 C8 107.9(4) . . . .
C2 Ru C7 C8 141.7(4) . . . .
C1 Ru C7 C8 149.8(4) . . . .
C5 Ru C7 C8 85.9(6) . . . .
C15 Ru C7 C8 -29.3(4) . . . .
P1 Ru C7 C8 -113.6(4) . . . .
C14 Ru C7 C6 -172.4(5) . . . .
C4 Ru C7 C6 -95.7(5) . . . .
C3 Ru C7 C6 -66.2(5) . . . .
C2 Ru C7 C6 -32.4(5) . . . .
C1 Ru C7 C6 -24.3(7) . . . .
C5 Ru C7 C6 -88.3(7) . . . .
C15 Ru C7 C6 156.6(4) . . . .
P1 Ru C7 C6 72.2(4) . . . .
C6 C7 C8 C13 173.2(5) . . . .
Ru C7 C8 C13 -1.2(6) . . . .
C6 C7 C8 C9 -5.2(8) . . . .
Ru C7 C8 C9 -179.6(5) . . . .
C13 C8 C9 C10 15.2(9) . . . .
C7 C8 C9 C10 -166.5(6) . . . .
C8 C9 C10 C11 -50.5(10) . . . .
C9 C10 C11 C12 65.0(12) . . . .
C10 C11 C12 C13 -43.1(14) . . . .
C7 C8 C13 C14 -0.8(8) . . . .
C9 C8 C13 C14 177.7(6) . . . .
C7 C8 C13 C12 -173.5(8) . . . .
C9 C8 C13 C12 5.0(11) . . . .
C11 C12 C13 C8 8.9(14) . . . .
C11 C12 C13 C14 -164.0(9) . . . .
C8 C13 C14 C15 83.3(8) . . . .
C12 C13 C14 C15 -103.6(9) . . . .
C8 C13 C14 Ru 2.0(7) . . . .
C12 C13 C14 Ru 175.1(7) . . . .
C7 Ru C14 C15 -120.4(4) . . . .
C4 Ru C14 C15 124.3(4) . . . .
C3 Ru C14 C15 150.9(4) . . . .
C2 Ru C14 C15 139.6(4) . . . .
C1 Ru C14 C15 86.8(4) . . . .
C5 Ru C14 C15 90.6(4) . . . .
P1 Ru C14 C15 -33.8(4) . . . .
C7 Ru C14 C13 -1.9(4) . . . .
C4 Ru C14 C13 -117.2(5) . . . .
C3 Ru C14 C13 -90.6(5) . . . .
C2 Ru C14 C13 -101.9(5) . . . .
C1 Ru C14 C13 -154.8(4) . . . .
C5 Ru C14 C13 -150.9(5) . . . .
C15 Ru C14 C13 118.5(6) . . . .
P1 Ru C14 C13 84.7(4) . . . .
C13 C14 C15 Ru -100.8(5) . . . .
C7 Ru C15 C14 58.6(4) . . . .
C4 Ru C15 C14 -57.1(4) . . . .
C3 Ru C15 C14 -42.5(5) . . . .
C2 Ru C15 C14 -100.1(6) . . . .
C1 Ru C15 C14 -120.8(4) . . . .
C5 Ru C15 C14 -93.6(4) . . . .
P1 Ru C15 C14 149.6(4) . . . .
C22 P1 C16 C17 -165.6(4) . . . .
C28 P1 C16 C17 88.2(4) . . . .
Ru P1 C16 C17 -39.9(4) . . . .
C22 P1 C16 C21 15.4(4) . . . .
C28 P1 C16 C21 -90.8(4) . . . .
Ru P1 C16 C21 141.1(3) . . . .
C21 C16 C17 C18 -0.2(7) . . . .
P1 C16 C17 C18 -179.3(4) . . . .
C16 C17 C18 C19 0.1(8) . . . .
C17 C18 C19 C20 0.6(8) . . . .
C18 C19 C20 C21 -1.3(8) . . . .
C19 C20 C21 C16 1.3(8) . . . .
C17 C16 C21 C20 -0.5(7) . . . .
P1 C16 C21 C20 178.6(4) . . . .
C16 P1 C22 C27 -110.4(6) . . . .
C28 P1 C22 C27 -3.9(6) . . . .
Ru P1 C22 C27 126.1(5) . . . .
C16 P1 C22 C23 70.0(4) . . . .
C28 P1 C22 C23 176.5(4) . . . .
Ru P1 C22 C23 -53.5(4) . . . .
C27 C22 C23 C24 -0.8(8) . . . .
P1 C22 C23 C24 178.8(4) . . . .
C22 C23 C24 C25 1.6(9) . . . .
C23 C24 C25 C26 -0.5(11) . . . .
C24 C25 C26 C27 -1.4(14) . . . .
C23 C22 C27 C26 -1.0(11) . . . .
P1 C22 C27 C26 179.4(7) . . . .
C25 C26 C27 C22 2.1(15) . . . .
C22 P1 C28 C33 -111.1(4) . . . .
C16 P1 C28 C33 -5.0(4) . . . .
Ru P1 C28 C33 120.0(4) . . . .
C22 P1 C28 C29 70.8(4) . . . .
C16 P1 C28 C29 176.9(4) . . . .
Ru P1 C28 C29 -58.1(4) . . . .
C33 C28 C29 C30 2.6(8) . . . .
P1 C28 C29 C30 -179.2(4) . . . .
C28 C29 C30 C31 -0.5(9) . . . .
C29 C30 C31 C32 -1.8(9) . . . .
C30 C31 C32 C33 1.8(9) . . . .
C29 C28 C33 C32 -2.6(7) . . . .
P1 C28 C33 C32 179.3(4) . . . .
C31 C32 C33 C28 0.4(9) . . . .
