#------------------------------------------------------------------------------
#$Date: 2016-02-16 03:10:39 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176453 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/00/7000079.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_7000079
loop_
_publ_author_name
'Duraczyńska, Dorota'
'Nelson, John H.'
_publ_section_title
;
 Phosphaallyl complexes of Ru(II) derived from
 dicyclohexylvinylphosphine (DCVP).
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              92
_journal_page_last               103
_journal_paper_doi               10.1039/b413446j
_journal_year                    2005
_chemical_formula_sum            'C35.5 H33 F6 O1.5 P3 Ru'
_chemical_formula_weight         791.60
_chemical_name_common            13A
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 104.883(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.8398(18)
_cell_length_b                   19.6539(18)
_cell_length_c                   16.9986(15)
_cell_measurement_reflns_used    28
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      12.51
_cell_measurement_theta_min      3.88
_cell_volume                     3500.0(7)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_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      298(2)
_diffrn_measured_fraction_theta_full 0.878
_diffrn_measured_fraction_theta_max 0.878
_diffrn_measurement_device_type  'Bruker P4'
_diffrn_measurement_method       'ω 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  0.0345
_diffrn_reflns_av_sigmaI/netI    0.0865
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -1
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            7676
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         2.02
_diffrn_standards_interval_count 97
_diffrn_standards_number         3
_exptl_absorpt_coefficient_mu    0.646
_exptl_absorpt_correction_T_max  0.9673
_exptl_absorpt_correction_T_min  0.8516
_exptl_absorpt_correction_type   empirical
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.502
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1604
_exptl_crystal_size_max          .44
_exptl_crystal_size_mid          .40
_exptl_crystal_size_min          .34
_refine_diff_density_max         0.696
_refine_diff_density_min         -0.423
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     439
_refine_ls_number_reflns         6169
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.1266
_refine_ls_R_factor_gt           0.0665
_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)+(0.1000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1565
_refine_ls_wR_factor_ref         0.1895
_reflns_number_gt                3652
_reflns_number_total             6169
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b413446j.txt
_cod_data_source_block           jhn469a
_cod_depositor_comments
;
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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_original_formula_sum        'C35.50 H33 F6 O1.50 P3 Ru'
_cod_database_code               7000079
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.86855(6) 0.83299(3) 0.61994(4) 0.0481(2) Uani 1 1 d . . .
P1 P 0.70713(18) 0.89891(9) 0.54047(11) 0.0458(5) Uani 1 1 d . . .
P2 P 0.87188(19) 0.92081(9) 0.70766(11) 0.0460(5) Uani 1 1 d . . .
C1 C 0.9693(9) 0.7316(4) 0.6412(6) 0.072(2) Uani 1 1 d . . .
C2 C 0.9365(14) 0.7501(4) 0.7120(6) 0.094(4) Uani 1 1 d . . .
H2A H 0.9945 0.7552 0.7663 0.113 Uiso 1 1 calc R . .
C3 C 0.8009(14) 0.7536(5) 0.6915(8) 0.091(4) Uani 1 1 d . . .
H3A H 0.7493 0.7620 0.7302 0.109 Uiso 1 1 calc R . .
C4 C 0.7534(11) 0.7371(4) 0.6107(9) 0.099(4) Uani 1 1 d . . .
H4A H 0.6629 0.7322 0.5823 0.119 Uiso 1 1 calc R . .
C5 C 0.8569(12) 0.7245(4) 0.5772(6) 0.085(3) Uani 1 1 d . . .
H5A H 0.8519 0.7089 0.5217 0.102 Uiso 1 1 calc R . .
C6 C 1.0998(11) 0.7158(6) 0.6345(9) 0.139(5) Uani 1 1 d . . .
H6A H 1.1184 0.6688 0.6473 0.209 Uiso 1 1 calc R . .
H6B H 1.1604 0.7438 0.6718 0.209 Uiso 1 1 calc R . .
H6C H 1.1052 0.7247 0.5799 0.209 Uiso 1 1 calc R . .
C7 C 0.7177(7) 0.9654(4) 0.6882(4) 0.0482(18) Uani 1 1 d . . .
H7A H 0.6472 0.9385 0.6982 0.058 Uiso 1 1 calc R . .
C8 C 0.7086(7) 0.9808(3) 0.5964(4) 0.0479(17) Uani 1 1 d . . .
H8A H 0.6348 1.0094 0.5716 0.057 Uiso 1 1 calc R . .
C9 C 0.8376(7) 1.0164(3) 0.5971(4) 0.0497(18) Uani 1 1 d . . .
H9A H 0.8758 0.9959 0.5571 0.060 Uiso 1 1 calc R . .
H9B H 0.8242 1.0645 0.5848 0.060 Uiso 1 1 calc R . .
C10 C 0.9247(7) 1.0063(4) 0.6842(4) 0.0500(18) Uani 1 1 d . . .
H10A H 1.0165 1.0119 0.6904 0.060 Uiso 1 1 calc R . .
C11 C 0.8666(8) 1.0500(3) 0.7390(4) 0.0532(19) Uani 1 1 d . . .
C12 C 0.9397(9) 1.1116(4) 0.7811(5) 0.076(3) Uani 1 1 d . . .
H12A H 0.8909 1.1338 0.8135 0.114 Uiso 1 1 calc R . .
H12B H 0.9541 1.1428 0.7409 0.114 Uiso 1 1 calc R . .
H12C H 1.0202 1.0972 0.8155 0.114 Uiso 1 1 calc R . .
C13 C 0.7503(7) 1.0286(4) 0.7388(4) 0.0489(18) Uani 1 1 d . . .
C14 C 0.6584(8) 1.0589(4) 0.7818(5) 0.072(2) Uani 1 1 d . . .
H14A H 0.6952 1.0990 0.8107 0.108 Uiso 1 1 calc R . .
H14B H 0.6408 1.0263 0.8197 0.108 Uiso 1 1 calc R . .
H14C H 0.5804 1.0706 0.7427 0.108 Uiso 1 1 calc R . .
C15 C 0.9341(8) 0.9083(4) 0.8158(5) 0.059(2) Uani 1 1 d . . .
C16 C 0.8561(10) 0.8970(5) 0.8655(5) 0.085(3) Uani 1 1 d . . .
H16A H 0.7681 0.8950 0.8440 0.102 Uiso 1 1 calc R . .
C17 C 0.9089(16) 0.8883(7) 0.9495(8) 0.133(5) Uani 1 1 d . . .
H17A H 0.8555 0.8824 0.9839 0.159 Uiso 1 1 calc R . .
C18 C 1.0365(19) 0.8885(8) 0.9802(8) 0.147(6) Uani 1 1 d . . .
H18A H 1.0708 0.8813 1.0356 0.177 Uiso 1 1 calc R . .
C19 C 1.1168(14) 0.8993(8) 0.9303(8) 0.140(5) Uani 1 1 d . . .
H19A H 1.2047 0.9017 0.9518 0.168 Uiso 1 1 calc R . .
C20 C 1.0638(10) 0.9066(6) 0.8475(6) 0.097(3) Uani 1 1 d . . .
H20A H 1.1172 0.9104 0.8127 0.116 Uiso 1 1 calc R . .
C21 C 0.5469(7) 0.8628(4) 0.5207(5) 0.0515(18) Uani 1 1 d . . .
C22 C 0.4966(8) 0.8423(4) 0.5836(5) 0.067(2) Uani 1 1 d . . .
H22A H 0.5436 0.8481 0.6373 0.081 Uiso 1 1 calc R . .
C23 C 0.3756(9) 0.8128(5) 0.5672(6) 0.077(3) Uani 1 1 d . . .
H23A H 0.3420 0.8004 0.6103 0.092 Uiso 1 1 calc R . .
C24 C 0.3052(9) 0.8016(5) 0.4889(6) 0.079(3) Uani 1 1 d . . .
H24A H 0.2253 0.7811 0.4788 0.094 Uiso 1 1 calc R . .
C25 C 0.3537(9) 0.8209(5) 0.4269(6) 0.078(3) Uani 1 1 d . . .
H25A H 0.3065 0.8136 0.3736 0.094 Uiso 1 1 calc R . .
C26 C 0.4735(8) 0.8517(4) 0.4412(5) 0.065(2) Uani 1 1 d . . .
H26A H 0.5047 0.8650 0.3975 0.077 Uiso 1 1 calc R . .
C27 C 0.7174(7) 0.9242(4) 0.4389(4) 0.0511(18) Uani 1 1 d . . .
C28 C 0.6740(8) 0.9857(5) 0.4052(5) 0.068(2) Uani 1 1 d . . .
H28A H 0.6419 1.0177 0.4351 0.081 Uiso 1 1 calc R . .
C29 C 0.6780(8) 1.0001(6) 0.3255(5) 0.079(3) Uani 1 1 d . . .
H29A H 0.6485 1.0419 0.3027 0.095 Uiso 1 1 calc R . .
C30 C 0.7241(9) 0.9542(6) 0.2810(5) 0.078(3) Uani 1 1 d . . .
H30A H 0.7257 0.9645 0.2278 0.094 Uiso 1 1 calc R . .
C31 C 0.7682(9) 0.8930(6) 0.3143(5) 0.080(3) Uani 1 1 d . . .
H31A H 0.7989 0.8610 0.2837 0.096 Uiso 1 1 calc R . .
C32 C 0.7672(7) 0.8790(4) 0.3930(5) 0.062(2) Uani 1 1 d . . .
H32A H 0.8008 0.8379 0.4161 0.074 Uiso 1 1 calc R . .
C33 C 0.9922(9) 0.8739(4) 0.5768(5) 0.066(2) Uani 1 1 d . . .
O1 O 1.0680(6) 0.8964(4) 0.5499(4) 0.093(2) Uani 1 1 d . . .
P3 P 0.4709(3) 0.81153(18) 0.83584(19) 0.0992(10) Uani 1 1 d . . .
F1 F 0.5752(13) 0.7810(7) 0.8018(8) 0.257(6) Uani 1 1 d . . .
F2 F 0.4744(15) 0.7437(7) 0.8800(7) 0.269(7) Uani 1 1 d . . .
F3 F 0.5746(10) 0.8344(5) 0.9119(5) 0.191(4) Uani 1 1 d . . .
F4 F 0.3756(11) 0.8374(10) 0.8737(8) 0.327(10) Uani 1 1 d . . .
F5 F 0.4946(13) 0.8741(5) 0.7936(6) 0.245(6) Uani 1 1 d . . .
F6 F 0.3750(11) 0.7860(10) 0.7635(5) 0.318(10) Uani 1 1 d . . .
O2 O 0.5000 1.0000 1.0000 0.49(4) Uani 1 2 d S . .
C35 C 0.438(5) 1.040(3) 0.936(2) 0.120(16) Uani 0.50 1 d P . .
C36 C 0.362(8) 1.023(3) 0.993(4) 0.18(3) Uani 0.50 1 d P . .
C35A C 0.516(6) 1.047(2) 0.947(2) 0.102(10) Uani 0.50 1 d P . .
C36A C 0.342(5) 1.032(2) 0.9470(18) 0.229(18) 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'
O O 0.0106 0.0060 '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
_geom_angle_publ_flag
C33 Ru1 C3 153.0(4) . . ?
C33 Ru1 C4 141.0(4) . . ?
C3 Ru1 C4 36.0(4) . . ?
C33 Ru1 C5 105.6(4) . . ?
C3 Ru1 C5 60.7(4) . . ?
C4 Ru1 C5 36.5(4) . . ?
C33 Ru1 C2 116.5(5) . . ?
C3 Ru1 C2 37.1(4) . . ?
C4 Ru1 C2 61.1(4) . . ?
C5 Ru1 C2 61.2(4) . . ?
C33 Ru1 C1 94.4(3) . . ?
C3 Ru1 C1 60.3(4) . . ?
C4 Ru1 C1 60.5(4) . . ?
C5 Ru1 C1 36.7(3) . . ?
C2 Ru1 C1 35.9(3) . . ?
C33 Ru1 P2 92.2(3) . . ?
C3 Ru1 P2 97.2(3) . . ?
C4 Ru1 P2 126.7(4) . . ?
C5 Ru1 P2 157.3(3) . . ?
C2 Ru1 P2 98.4(3) . . ?
C1 Ru1 P2 129.7(3) . . ?
C33 Ru1 P1 92.4(3) . . ?
C3 Ru1 P1 114.1(4) . . ?
C4 Ru1 P1 96.1(3) . . ?
C5 Ru1 P1 111.8(3) . . ?
C2 Ru1 P1 151.1(4) . . ?
C1 Ru1 P1 148.3(3) . . ?
P2 Ru1 P1 80.80(7) . . ?
C21 P1 C27 102.6(4) . . ?
C21 P1 C8 108.2(3) . . ?
C27 P1 C8 104.6(3) . . ?
C21 P1 Ru1 115.5(3) . . ?
C27 P1 Ru1 118.9(3) . . ?
C8 P1 Ru1 106.2(2) . . ?
C15 P2 C7 109.4(3) . . ?
C15 P2 C10 106.7(4) . . ?
C7 P2 C10 81.1(3) . . ?
C15 P2 Ru1 120.2(3) . . ?
C7 P2 Ru1 112.5(2) . . ?
C10 P2 Ru1 120.1(2) . . ?
C2 C1 C5 109.3(10) . . ?
C2 C1 C6 125.8(12) . . ?
C5 C1 C6 124.7(11) . . ?
C2 C1 Ru1 71.7(5) . . ?
C5 C1 Ru1 71.3(5) . . ?
C6 C1 Ru1 127.2(7) . . ?
C1 C2 C3 106.2(10) . . ?
C1 C2 Ru1 72.4(5) . . ?
C3 C2 Ru1 70.2(6) . . ?
C4 C3 C2 109.3(10) . . ?
C4 C3 Ru1 73.1(6) . . ?
C2 C3 Ru1 72.7(5) . . ?
C3 C4 C5 108.2(11) . . ?
C3 C4 Ru1 70.9(6) . . ?
C5 C4 Ru1 71.9(5) . . ?
C4 C5 C1 106.9(9) . . ?
C4 C5 Ru1 71.7(5) . . ?
C1 C5 Ru1 72.0(5) . . ?
C13 C7 C8 110.9(6) . . ?
C13 C7 P2 102.8(5) . . ?
C8 C7 P2 95.4(4) . . ?
C9 C8 C7 104.6(6) . . ?
C9 C8 P1 106.3(4) . . ?
C7 C8 P1 109.3(4) . . ?
C10 C9 C8 105.9(5) . . ?
C11 C10 C9 105.5(6) . . ?
C11 C10 P2 100.5(5) . . ?
C9 C10 P2 100.1(4) . . ?
C13 C11 C10 111.3(6) . . ?
C13 C11 C12 129.2(7) . . ?
C10 C11 C12 119.4(7) . . ?
C11 C13 C7 110.3(6) . . ?
C11 C13 C14 128.4(7) . . ?
C7 C13 C14 121.3(7) . . ?
C16 C15 C20 119.5(8) . . ?
C16 C15 P2 121.7(7) . . ?
C20 C15 P2 118.7(7) . . ?
C15 C16 C17 119.7(11) . . ?
C18 C17 C16 120.2(12) . . ?
C17 C18 C19 120.6(12) . . ?
C18 C19 C20 118.6(13) . . ?
C15 C20 C19 121.2(11) . . ?
C22 C21 C26 117.6(7) . . ?
C22 C21 P1 121.2(6) . . ?
C26 C21 P1 121.1(6) . . ?
C21 C22 C23 120.3(8) . . ?
C24 C23 C22 121.4(8) . . ?
C25 C24 C23 118.9(9) . . ?
C24 C25 C26 121.2(9) . . ?
C25 C26 C21 120.6(8) . . ?
C28 C27 C32 118.3(7) . . ?
C28 C27 P1 122.6(6) . . ?
C32 C27 P1 119.1(6) . . ?
C27 C28 C29 119.5(9) . . ?
C30 C29 C28 121.2(9) . . ?
C29 C30 C31 119.7(8) . . ?
C30 C31 C32 119.6(9) . . ?
C31 C32 C27 121.7(9) . . ?
O1 C33 Ru1 177.6(8) . . ?
F4 P3 F6 93.4(8) . . ?
F4 P3 F5 99.0(10) . . ?
F6 P3 F5 93.0(7) . . ?
F4 P3 F1 175.6(9) . . ?
F6 P3 F1 89.0(8) . . ?
F5 P3 F1 84.5(7) . . ?
F4 P3 F2 91.1(9) . . ?
F6 P3 F2 92.1(8) . . ?
F5 P3 F2 168.4(9) . . ?
F1 P3 F2 85.2(8) . . ?
F4 P3 F3 88.6(7) . . ?
F6 P3 F3 176.9(9) . . ?
F5 P3 F3 89.1(6) . . ?
F1 P3 F3 88.9(7) . . ?
F2 P3 F3 85.5(6) . . ?
C35A O2 C35A 180.00(3) . 3_677 ?
C35A O2 C35 35.9(18) . . ?
C35A O2 C35 144.1(18) 3_677 . ?
C35A O2 C35 144.1(18) . 3_677 ?
C35A O2 C35 35.9(18) 3_677 3_677 ?
C35 O2 C35 180(5) . 3_677 ?
C35A O2 C36 92(4) . . ?
C35A O2 C36 88(4) 3_677 . ?
C35 O2 C36 60(3) . . ?
C35 O2 C36 120(3) 3_677 . ?
C35A O2 C36 88(4) . 3_677 ?
C35A O2 C36 92(4) 3_677 3_677 ?
C35 O2 C36 120(3) . 3_677 ?
C35 O2 C36 60(3) 3_677 3_677 ?
C36 O2 C36 180.00(3) . 3_677 ?
C35A O2 C36A 107(3) . 3_677 ?
C35A O2 C36A 73(3) 3_677 3_677 ?
C35 O2 C36A 143(3) . 3_677 ?
C35 O2 C36A 37(3) 3_677 3_677 ?
C36 O2 C36A 155(3) . 3_677 ?
C36 O2 C36A 25(3) 3_677 3_677 ?
C35A O2 C36A 73(3) . . ?
C35A O2 C36A 107(3) 3_677 . ?
C35 O2 C36A 37(3) . . ?
C35 O2 C36A 143(3) 3_677 . ?
C36 O2 C36A 25(3) . . ?
C36 O2 C36A 155(3) 3_677 . ?
C36A O2 C36A 180.00(2) 3_677 . ?
C35A C35 C36A 159(6) . . ?
C35A C35 O2 70(4) . . ?
C36A C35 O2 94(5) . . ?
C35A C35 C36 128(6) . . ?
C36A C35 C36 32(5) . . ?
O2 C35 C36 66(4) . . ?
C36A C36 C35 49(7) . . ?
C36A C36 O2 100(9) . . ?
C35 C36 O2 54(3) . . ?
C36A C36 C35A 131(8) . 3_677 ?
C35 C36 C35A 95(5) . 3_677 ?
O2 C36 C35A 42(2) . 3_677 ?
C35 C35A O2 74(4) . . ?
C35 C35A C36A 12(4) . . ?
O2 C35A C36A 66(2) . . ?
C35 C35A C36 120(7) . 3_677 ?
O2 C35A C36 50(3) . 3_677 ?
C36A C35A C36 114(3) . 3_677 ?
C36 C36A C35 99(10) . . ?
C36 C36A O2 56(8) . . ?
C35 C36A O2 48(3) . . ?
C36 C36A C35A 90(9) . . ?
C35 C36A C35A 9(3) . . ?
O2 C36A C35A 41.6(17) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
Ru1 C33 1.867(9) . ?
Ru1 C3 2.216(9) . ?
Ru1 C4 2.243(9) . ?
Ru1 C5 2.245(8) . ?
Ru1 C2 2.248(9) . ?
Ru1 C1 2.256(9) . ?
Ru1 P2 2.2752(19) . ?
Ru1 P1 2.313(2) . ?
P1 C21 1.826(8) . ?
P1 C27 1.827(7) . ?
P1 C8 1.867(7) . ?
P2 C15 1.805(8) . ?
P2 C7 1.840(7) . ?
P2 C10 1.851(7) . ?
C1 C2 1.388(12) . ?
C1 C5 1.417(13) . ?
C1 C6 1.482(13) . ?
C2 C3 1.422(15) . ?
C3 C4 1.377(14) . ?
C4 C5 1.404(14) . ?
C7 C13 1.501(9) . ?
C7 C8 1.567(9) . ?
C8 C9 1.562(10) . ?
C9 C10 1.551(10) . ?
C10 C11 1.517(10) . ?
C11 C13 1.328(10) . ?
C11 C12 1.523(10) . ?
C13 C14 1.502(10) . ?
C15 C16 1.358(11) . ?
C15 C20 1.371(12) . ?
C16 C17 1.406(14) . ?
C17 C18 1.348(19) . ?
C18 C19 1.380(18) . ?
C19 C20 1.384(14) . ?
C21 C22 1.380(10) . ?
C21 C26 1.397(10) . ?
C22 C23 1.394(12) . ?
C23 C24 1.372(12) . ?
C24 C25 1.347(12) . ?
C25 C26 1.397(12) . ?
C27 C28 1.368(11) . ?
C27 C32 1.382(10) . ?
C28 C29 1.395(11) . ?
C29 C30 1.353(13) . ?
C30 C31 1.362(13) . ?
C31 C32 1.369(11) . ?
C33 O1 1.128(9) . ?
P3 F4 1.442(10) . ?
P3 F6 1.478(10) . ?
P3 F5 1.480(9) . ?
P3 F1 1.520(10) . ?
P3 F2 1.525(11) . ?
P3 F3 1.547(9) . ?
O2 C35A 1.34(3) . ?
O2 C35A 1.34(3) 3_677 ?
O2 C35 1.36(4) . ?
O2 C35 1.36(4) 3_677 ?
O2 C36 1.53(8) . ?
O2 C36 1.53(8) 3_677 ?
O2 C36A 1.83(5) 3_677 ?
O2 C36A 1.83(5) . ?
C35 C35A 0.83(4) . ?
C35 C36A 1.12(7) . ?
C35 C36 1.46(9) . ?
C36 C36A 0.78(8) . ?
C36 C35A 1.99(10) 3_677 ?
C35A C36A 1.92(7) . ?
C35A C36 1.99(10) 3_677 ?
