#------------------------------------------------------------------------------
#$Date: 2019-11-08 01:40:08 +0200 (Fri, 08 Nov 2019) $
#$Revision: 224541 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/04/79/7047956.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_7047956
loop_
_publ_author_name
'Bispinghoff, Mark'
'Benkő, Zoltán'
'Grützmacher, Hansjörg'
'Calvo, Fuencisla Delgado'
'Caporali, Maria'
'Peruzzini, Maurizio'
_publ_section_title
;
 Ruthenium mediated halogenation of white phosphorus: synthesis and
 reactivity of the unprecedented P₄Cl₂ moiety.
;
_journal_issue                   11
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3593
_journal_page_last               3600
_journal_paper_doi               10.1039/c8dt01840e
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C56 H96 P8 Ru4, 2(C4 H8 O)'
_chemical_formula_sum            'C64 H112 O2 P8 Ru4'
_chemical_formula_weight         1565.57
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     dual
_audit_creation_date             2016-11-02
_audit_creation_method
;
Olex2 1.2
(compiled 2016.09.09 svn.r3337 for OlexSys, GUI svn.r5227)
;
_audit_update_record
;
2018-01-05 deposited with the CCDC.
2018-11-05 downloaded from the CCDC.
;
_cell_angle_alpha                112.290(2)
_cell_angle_beta                 107.073(2)
_cell_angle_gamma                90.803(2)
_cell_formula_units_Z            1
_cell_length_a                   11.9212(3)
_cell_length_b                   12.4576(3)
_cell_length_c                   13.0288(3)
_cell_measurement_reflns_used    9724
_cell_measurement_temperature    104(2)
_cell_measurement_theta_max      32.1380
_cell_measurement_theta_min      3.2730
_cell_volume                     1694.14(8)
_computing_cell_refinement       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_collection       'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_data_reduction        'CrysAlisPro 1.171.38.41 (Rigaku OD, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'XL (Sheldrick, 2008)'
_computing_structure_solution    'XS (Sheldrick, 2008)'
_diffrn_ambient_environment      N~2~
_diffrn_ambient_temperature      104(2)
_diffrn_detector                 'CCD plate'
_diffrn_detector_area_resol_mean 16.0839
_diffrn_detector_type            Sapphire3
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_details
;
List of Runs (angles in degrees, time in seconds):

  # Type    Start    End  Width  tₑₓₚ   ω     θ     κ     φ   Frames
#--------------------------------------------------------------------------
  1  ω    -40.00  43.00   1.00   50.00    --   26.86 -57.00 -60.00   83
  2  ω     20.00  69.00   1.00   50.00    --   26.86 -99.00  60.00   49
  3  ω      8.00  94.00   1.00   50.00    --   26.86  57.00-180.00   86
  4  ω     -9.00  69.00   1.00   50.00    --   26.86 -99.00 -90.00   78
  5  ω     42.00  69.00   1.00   50.00    --   26.86 -99.00-180.00   27
  6  ω    -16.00 100.00   1.00   50.00    --   26.86  19.00 120.00  116
  7  ω    -52.00 -25.00   1.00   50.00    --  -26.23  38.00  90.00   27
  8  ω    -42.00  48.00   1.00   50.00    --   26.86 -57.00 150.00   90
  9  ω      6.00  96.00   1.00   50.00    --   26.86  57.00 -60.00   90
;
_diffrn_measurement_device       'four-circle diffractometer'
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_measurement_method       'ω scans'
_diffrn_orient_matrix_type
'CrysAlisPro convention (1999,Acta A55,543-557)'
_diffrn_orient_matrix_UB_11      -0.0377832000
_diffrn_orient_matrix_UB_12      -0.0536278000
_diffrn_orient_matrix_UB_13      -0.0376701000
_diffrn_orient_matrix_UB_21      0.0278729000
_diffrn_orient_matrix_UB_22      -0.0067478000
_diffrn_orient_matrix_UB_23      -0.0428404000
_diffrn_orient_matrix_UB_31      0.0418215000
_diffrn_orient_matrix_UB_32      -0.0307043000
_diffrn_orient_matrix_UB_33      0.0247184000
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0338
_diffrn_reflns_av_unetI/netI     0.0440
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            22671
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.282
_diffrn_reflns_theta_min         2.872
_diffrn_source                   'fine-focus sealed X-ray tube'
_diffrn_source_type              'Enhance (Mo) X-ray Source'
_exptl_absorpt_coefficient_mu    1.104
_exptl_absorpt_correction_T_max  1.00000
_exptl_absorpt_correction_T_min  0.98209
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlisPro 1.171.38.41 (Rigaku Oxford Diffraction, 2015)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            'clear dark red'
_exptl_crystal_density_diffrn    1.535
_exptl_crystal_description       block
_exptl_crystal_F_000             808
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.06
_refine_diff_density_max         1.894
_refine_diff_density_min         -1.185
_refine_diff_density_rms         0.105
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     364
_refine_ls_number_reflns         8394
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0465
_refine_ls_R_factor_gt           0.0339
_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)+(0.0300P)²+1.7334P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0719
_refine_ls_wR_factor_ref         0.0766
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6964
_reflns_number_total             8394
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            c8dt01840e2.cif
_cod_data_source_block           mb175smart
_cod_depositor_comments
'Adding full bibliography for 7047955--7047958.cif.'
_cod_database_code               7047956
_chemical_oxdiff_formula         C32H56OP4Ru2
_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.
;
_reflns_odcompleteness_completeness 99.91
_reflns_odcompleteness_iscentric 1
_reflns_odcompleteness_theta     30.44
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Secondary CH2 refined with riding coordinates:
 C21(H21a,H21b), C25(H25a,H25b), C26(H26a,H26b), C22(H22a,H22b), C23(H23a,
 H23b), C27(H27a,H27b), C31(H31a,H31b), C32(H32a,H32b), C29(H29a,H29b),
 C30(H30a,H30b)
2.b Idealised Me refined as rotating group:
 C6(H6a,H6b,H6c), C7(H7a,H7b,H7c), C17(H17a,H17b,H17c), C16(H16a,H16b,H16c),
 C18(H18a,H18b,H18c), C9(H9a,H9b,H9c), C8(H8a,H8b,H8c), C19(H19a,H19b,H19c),
 C20(H20a,H20b,H20c), C10(H10a,H10b,H10c), C28(H28a,H28b,H28c), C24(H24a,H24b,
 H24c)
;
_shelx_shelxl_version_number     2014/7
_olex2_submission_special_instructions 'No special instructions were received'
_oxdiff_exptl_absorpt_empirical_details
;
Empirical correction (ABSPACK) includes:
- Absorption correction using spherical harmonics
- Frame scaling
;
_oxdiff_exptl_absorpt_empirical_full_max 1.064
_oxdiff_exptl_absorpt_empirical_full_min 0.973
loop_
_space_group_symop_operation_xyz
'x, y, z'
'-x, -y, -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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
Ru1 Ru 0.51376(2) 0.82311(2) 0.51367(2) 0.01169(6) Uani 1 1 d .
Ru2 Ru 0.33496(2) 0.83109(2) 0.22309(2) 0.01262(6) Uani 1 1 d .
P1 P 0.52648(6) 0.84940(6) 0.34931(6) 0.01193(14) Uani 1 1 d .
P3 P 0.31926(6) 1.01949(6) 0.37821(6) 0.01300(14) Uani 1 1 d .
P4 P 0.33377(6) 0.86324(6) 0.41110(6) 0.01267(14) Uani 1 1 d .
P2 P 0.49202(6) 1.00533(6) 0.31860(6) 0.01283(14) Uani 1 1 d .
C2 C 0.6317(3) 0.6845(2) 0.5204(3) 0.0166(6) Uani 1 1 d .
C11 C 0.2933(3) 0.8060(3) 0.0325(2) 0.0189(6) Uani 1 1 d .
C21 C 0.6489(2) 0.7942(2) 0.2927(2) 0.0153(5) Uani 1 1 d .
H21A H 0.7231 0.8240 0.3569 0.018 Uiso 1 1 calc R
H21B H 0.6384 0.7095 0.2644 0.018 Uiso 1 1 calc R
C25 C 0.1893(2) 0.8335(3) 0.4286(3) 0.0173(6) Uani 1 1 d .
H25A H 0.1284 0.8548 0.3745 0.021 Uiso 1 1 calc R
H25B H 0.1718 0.7499 0.4060 0.021 Uiso 1 1 calc R
C14 C 0.2343(3) 0.6622(3) 0.0853(2) 0.0186(6) Uani 1 1 d .
C1 C 0.5207(3) 0.6282(2) 0.4302(3) 0.0172(6) Uani 1 1 d .
C13 C 0.1550(2) 0.7480(3) 0.1008(2) 0.0182(6) Uani 1 1 d .
C3 C 0.6078(3) 0.7322(3) 0.6292(3) 0.0182(6) Uani 1 1 d .
C4 C 0.4836(3) 0.7066(3) 0.6070(3) 0.0201(6) Uani 1 1 d .
C15 C 0.3196(2) 0.6986(3) 0.0426(2) 0.0186(6) Uani 1 1 d .
C12 C 0.1910(2) 0.8358(3) 0.0675(2) 0.0190(6) Uani 1 1 d .
C6 C 0.5001(3) 0.5538(3) 0.3032(3) 0.0234(7) Uani 1 1 d .
H6A H 0.4595 0.5941 0.2564 0.035 Uiso 1 1 calc GR
H6B H 0.4527 0.4808 0.2811 0.035 Uiso 1 1 calc GR
H6C H 0.5748 0.5391 0.2907 0.035 Uiso 1 1 calc GR
C26 C 0.1812(3) 0.8967(3) 0.5505(3) 0.0200(6) Uani 1 1 d .
H26A H 0.1977 0.9806 0.5736 0.024 Uiso 1 1 calc R
H26B H 0.2414 0.8755 0.6052 0.024 Uiso 1 1 calc R
C7 C 0.7525(3) 0.6825(3) 0.5084(3) 0.0227(6) Uani 1 1 d .
H7A H 0.7456 0.6536 0.4269 0.034 Uiso 1 1 calc GR
H7B H 0.7941 0.6322 0.5421 0.034 Uiso 1 1 calc GR
H7C H 0.7954 0.7604 0.5484 0.034 Uiso 1 1 calc GR
C5 C 0.4309(3) 0.6416(2) 0.4838(3) 0.0193(6) Uani 1 1 d .
C22 C 0.6585(2) 0.8279(2) 0.1940(2) 0.0160(6) Uani 1 1 d .
H22A H 0.5795 0.8207 0.1409 0.019 Uiso 1 1 calc R
H22B H 0.6938 0.9093 0.2272 0.019 Uiso 1 1 calc R
C17 C 0.1223(3) 0.9331(3) 0.0566(3) 0.0272(7) Uani 1 1 d .
H17A H 0.0992 0.9698 0.1252 0.041 Uiso 1 1 calc GR
H17B H 0.0528 0.9018 -0.0114 0.041 Uiso 1 1 calc GR
H17C H 0.1709 0.9900 0.0491 0.041 Uiso 1 1 calc GR
C23 C 0.7320(3) 0.7524(3) 0.1251(3) 0.0211(6) Uani 1 1 d .
H23A H 0.6985 0.6707 0.0941 0.025 Uiso 1 1 calc R
H23B H 0.8121 0.7621 0.1772 0.025 Uiso 1 1 calc R
C16 C 0.3559(3) 0.8726(3) -0.0153(3) 0.0258(7) Uani 1 1 d .
H16A H 0.3610 0.9553 0.0285 0.039 Uiso 1 1 calc GR
H16B H 0.3122 0.8529 -0.0963 0.039 Uiso 1 1 calc GR
H16C H 0.4342 0.8520 -0.0085 0.039 Uiso 1 1 calc GR
C18 C 0.0425(3) 0.7367(3) 0.1274(3) 0.0263(7) Uani 1 1 d .
H18A H 0.0514 0.6925 0.1751 0.039 Uiso 1 1 calc GR
H18B H -0.0214 0.6970 0.0555 0.039 Uiso 1 1 calc GR
H18C H 0.0253 0.8132 0.1687 0.039 Uiso 1 1 calc GR
C9 C 0.4244(3) 0.7351(3) 0.6988(3) 0.0280(7) Uani 1 1 d .
H9A H 0.4448 0.8171 0.7488 0.042 Uiso 1 1 calc GR
H9B H 0.4504 0.6899 0.7446 0.042 Uiso 1 1 calc GR
H9C H 0.3400 0.7167 0.6619 0.042 Uiso 1 1 calc GR
C8 C 0.6994(3) 0.7901(3) 0.7481(3) 0.0259(7) Uani 1 1 d .
H8A H 0.7674 0.8258 0.7417 0.039 Uiso 1 1 calc GR
H8B H 0.7224 0.7325 0.7796 0.039 Uiso 1 1 calc GR
H8C H 0.6668 0.8490 0.7992 0.039 Uiso 1 1 calc GR
C19 C 0.2117(3) 0.5424(3) 0.0840(3) 0.0274(7) Uani 1 1 d .
H19A H 0.2854 0.5123 0.1012 0.041 Uiso 1 1 calc GR
H19B H 0.1600 0.4907 0.0080 0.041 Uiso 1 1 calc GR
H19C H 0.1751 0.5478 0.1420 0.041 Uiso 1 1 calc GR
C20 C 0.4080(3) 0.6241(3) 0.0000(3) 0.0256(7) Uani 1 1 d .
H20A H 0.4605 0.6687 -0.0175 0.038 Uiso 1 1 calc GR
H20B H 0.3669 0.5562 -0.0694 0.038 Uiso 1 1 calc GR
H20C H 0.4530 0.6000 0.0598 0.038 Uiso 1 1 calc GR
C27 C 0.0603(3) 0.8686(3) 0.5593(3) 0.0281(7) Uani 1 1 d .
H27A H 0.0465 0.7859 0.5430 0.034 Uiso 1 1 calc R
H27B H -0.0008 0.8836 0.5003 0.034 Uiso 1 1 calc R
C10 C 0.3062(3) 0.5800(3) 0.4201(3) 0.0288(7) Uani 1 1 d .
H10A H 0.2574 0.6121 0.4682 0.043 Uiso 1 1 calc GR
H10B H 0.3052 0.4979 0.4031 0.043 Uiso 1 1 calc GR
H10C H 0.2762 0.5906 0.3482 0.043 Uiso 1 1 calc GR
O1 O 0.0185(3) 0.5208(3) 0.2671(4) 0.0805(12) Uani 1 1 d .
C28 C 0.0503(3) 0.9407(3) 0.6799(3) 0.0369(9) Uani 1 1 d .
H28A H -0.0270 0.9200 0.6812 0.055 Uiso 1 1 calc GR
H28B H 0.0622 1.0226 0.6959 0.055 Uiso 1 1 calc GR
H28C H 0.1095 0.9249 0.7386 0.055 Uiso 1 1 calc GR
C24 C 0.7361(3) 0.7844(3) 0.0245(3) 0.0306(8) Uani 1 1 d .
H24A H 0.6568 0.7804 -0.0242 0.046 Uiso 1 1 calc GR
H24B H 0.7771 0.7304 -0.0212 0.046 Uiso 1 1 calc GR
H24C H 0.7771 0.8625 0.0553 0.046 Uiso 1 1 calc GR
C31 C -0.0595(4) 0.3460(4) 0.2646(4) 0.0453(10) Uani 1 1 d .
H31A H -0.1090 0.2744 0.2045 0.054 Uiso 1 1 calc R
H31B H -0.0098 0.3291 0.3288 0.054 Uiso 1 1 calc R
C32 C 0.0138(4) 0.4003(4) 0.2160(4) 0.0525(11) Uani 1 1 d .
H32A H 0.0932 0.3793 0.2333 0.063 Uiso 1 1 calc R
H32B H -0.0215 0.3720 0.1316 0.063 Uiso 1 1 calc R
C29 C -0.0864(5) 0.5404(4) 0.2835(5) 0.0668(15) Uani 1 1 d .
H29A H -0.1422 0.5452 0.2147 0.080 Uiso 1 1 calc R
H29B H -0.0775 0.6137 0.3502 0.080 Uiso 1 1 calc R
C30 C -0.1315(7) 0.4379(6) 0.3056(8) 0.118(3) Uani 1 1 d .
H30A H -0.1200 0.4606 0.3883 0.142 Uiso 1 1 calc R
H30B H -0.2150 0.4112 0.2618 0.142 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'
O O 0.0106 0.0060 '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
P1 Ru1 P3 84.74(2) . 2_676
P1 Ru1 P4 68.63(2) . .
P1 Ru1 P2 118.14(2) . 2_676
P4 Ru1 P3 118.58(2) . 2_676
P4 Ru1 P2 86.18(3) . 2_676
P2 Ru1 P3 58.89(2) 2_676 2_676
C2 Ru1 P1 101.81(7) . .
C2 Ru1 P3 92.40(8) . 2_676
C2 Ru1 P4 145.34(8) . .
C2 Ru1 P2 125.53(8) . 2_676
C2 Ru1 C1 37.02(10) . .
C2 Ru1 C3 36.88(10) . .
C2 Ru1 C4 61.44(10) . .
C2 Ru1 C5 61.03(10) . .
C1 Ru1 P1 92.01(7) . .
C1 Ru1 P3 127.38(8) . 2_676
C1 Ru1 P4 108.53(7) . .
C1 Ru1 P2 149.78(7) . 2_676
C1 Ru1 C4 60.89(11) . .
C1 Ru1 C5 36.24(10) . .
C3 Ru1 P1 137.44(8) . .
C3 Ru1 P3 87.15(8) . 2_676
C3 Ru1 P4 147.80(8) . .
C3 Ru1 P2 92.23(8) . 2_676
C3 Ru1 C1 61.09(10) . .
C3 Ru1 C4 36.47(10) . .
C3 Ru1 C5 60.39(10) . .
C4 Ru1 P1 152.03(8) . .
C4 Ru1 P3 116.36(8) . 2_676
C4 Ru1 P4 111.32(8) . .
C4 Ru1 P2 89.37(8) . 2_676
C5 Ru1 P1 117.07(8) . .
C5 Ru1 P3 147.49(7) . 2_676
C5 Ru1 P4 92.74(7) . .
C5 Ru1 P2 119.78(8) . 2_676
C5 Ru1 C4 36.12(11) . .
P1 Ru2 P3 85.55(2) . .
P1 Ru2 P2 52.65(2) . .
P4 Ru2 P1 68.73(2) . .
P4 Ru2 P3 52.53(2) . .
P4 Ru2 P2 86.71(2) . .
P2 Ru2 P3 57.16(2) . .
C11 Ru2 P1 123.80(8) . .
C11 Ru2 P3 122.15(8) . .
C11 Ru2 P4 167.29(8) . .
C11 Ru2 P2 99.48(8) . .
C14 Ru2 P1 123.45(8) . .
C14 Ru2 P3 144.12(8) . .
C14 Ru2 P4 114.45(8) . .
C14 Ru2 P2 156.41(8) . .
C14 Ru2 C11 62.07(11) . .
C14 Ru2 C13 37.82(11) . .
C14 Ru2 C15 37.46(10) . .
C14 Ru2 C12 62.22(11) . .
C13 Ru2 P1 158.99(8) . .
C13 Ru2 P3 108.79(8) . .
C13 Ru2 P4 107.32(8) . .
C13 Ru2 P2 148.20(8) . .
C13 Ru2 C11 61.97(11) . .
C13 Ru2 C15 62.42(11) . .
C13 Ru2 C12 37.08(11) . .
C15 Ru2 P1 108.95(8) . .
C15 Ru2 P3 158.59(8) . .
C15 Ru2 P4 146.92(8) . .
C15 Ru2 P2 119.01(8) . .
C15 Ru2 C11 36.62(11) . .
C15 Ru2 C12 61.46(11) . .
C12 Ru2 P1 158.29(8) . .
C12 Ru2 P3 99.31(8) . .
C12 Ru2 P4 130.58(8) . .
C12 Ru2 P2 112.68(8) . .
C12 Ru2 C11 36.72(10) . .
Ru1 P1 Ru2 108.93(3) . .
Ru1 P1 P4 55.90(2) . .
Ru2 P1 P4 55.53(2) . .
P2 P1 Ru1 124.18(4) . .
P2 P1 Ru2 67.48(3) . .
P2 P1 P4 87.16(3) . .
C21 P1 Ru1 118.45(9) . .
C21 P1 Ru2 121.53(9) . .
C21 P1 P4 163.51(9) . .
C21 P1 P2 106.98(9) . .
Ru1 P3 Ru2 121.15(3) 2_676 .
P4 P3 Ru1 117.57(3) . 2_676
P4 P3 Ru2 59.63(3) . .
P4 P3 P2 93.81(4) . .
P2 P3 Ru1 60.37(2) . 2_676
P2 P3 Ru2 61.30(2) . .
Ru1 P4 P1 55.47(2) . .
Ru2 P4 Ru1 108.73(3) . .
Ru2 P4 P1 55.75(2) . .
P3 P4 Ru1 122.58(4) . .
P3 P4 Ru2 67.84(3) . .
P3 P4 P1 86.32(3) . .
C25 P4 Ru1 124.26(9) . .
C25 P4 Ru2 117.47(9) . .
C25 P4 P1 165.51(10) . .
C25 P4 P3 103.20(10) . .
Ru1 P2 Ru2 121.76(3) 2_676 .
P1 P2 Ru1 116.03(3) . 2_676
P1 P2 Ru2 59.87(3) . .
P1 P2 P3 92.69(3) . .
P3 P2 Ru1 60.74(3) . 2_676
P3 P2 Ru2 61.54(2) . .
C1 C2 Ru1 72.03(16) . .
C1 C2 C7 127.6(3) . .
C3 C2 Ru1 72.09(16) . .
C3 C2 C1 107.1(3) . .
C3 C2 C7 124.9(3) . .
C7 C2 Ru1 126.80(19) . .
C15 C11 Ru2 70.77(16) . .
C15 C11 C12 107.9(3) . .
C15 C11 C16 126.4(3) . .
C12 C11 Ru2 70.94(16) . .
C12 C11 C16 125.5(3) . .
C16 C11 Ru2 127.3(2) . .
P1 C21 H21A 108.6 . .
P1 C21 H21B 108.6 . .
H21A C21 H21B 107.6 . .
C22 C21 P1 114.60(19) . .
C22 C21 H21A 108.6 . .
C22 C21 H21B 108.6 . .
P4 C25 H25A 108.3 . .
P4 C25 H25B 108.3 . .
H25A C25 H25B 107.4 . .
C26 C25 P4 115.8(2) . .
C26 C25 H25A 108.3 . .
C26 C25 H25B 108.3 . .
C13 C14 Ru2 71.14(16) . .
C13 C14 C15 107.6(3) . .
C13 C14 C19 124.6(3) . .
C15 C14 Ru2 72.93(16) . .
C15 C14 C19 126.0(3) . .
C19 C14 Ru2 133.3(2) . .
C2 C1 Ru1 70.95(16) . .
C2 C1 C6 127.8(3) . .
C6 C1 Ru1 127.64(19) . .
C5 C1 Ru1 73.06(16) . .
C5 C1 C2 108.1(3) . .
C5 C1 C6 123.7(3) . .
C14 C13 Ru2 71.04(16) . .
C14 C13 C18 125.7(3) . .
C12 C13 Ru2 73.31(16) . .
C12 C13 C14 108.0(3) . .
C12 C13 C18 125.6(3) . .
C18 C13 Ru2 129.1(2) . .
C2 C3 Ru1 71.02(15) . .
C2 C3 C8 125.5(3) . .
C4 C3 Ru1 73.04(15) . .
C4 C3 C2 108.9(3) . .
C4 C3 C8 125.4(3) . .
C8 C3 Ru1 126.2(2) . .
C3 C4 Ru1 70.49(15) . .
C3 C4 C9 125.3(3) . .
C5 C4 Ru1 71.84(15) . .
C5 C4 C3 107.1(3) . .
C5 C4 C9 127.5(3) . .
C9 C4 Ru1 126.6(2) . .
C11 C15 Ru2 72.61(16) . .
C11 C15 C14 108.2(3) . .
C11 C15 C20 127.3(3) . .
C14 C15 Ru2 69.61(16) . .
C14 C15 C20 123.9(3) . .
C20 C15 Ru2 130.2(2) . .
C11 C12 Ru2 72.34(15) . .
C11 C12 C17 126.6(3) . .
C13 C12 Ru2 69.61(15) . .
C13 C12 C11 108.3(3) . .
C13 C12 C17 124.6(3) . .
C17 C12 Ru2 129.8(2) . .
C1 C6 H6A 109.5 . .
C1 C6 H6B 109.5 . .
C1 C6 H6C 109.5 . .
H6A C6 H6B 109.5 . .
H6A C6 H6C 109.5 . .
H6B C6 H6C 109.5 . .
C25 C26 H26A 108.9 . .
C25 C26 H26B 108.9 . .
C25 C26 C27 113.3(2) . .
H26A C26 H26B 107.7 . .
C27 C26 H26A 108.9 . .
C27 C26 H26B 108.9 . .
C2 C7 H7A 109.5 . .
C2 C7 H7B 109.5 . .
C2 C7 H7C 109.5 . .
H7A C7 H7B 109.5 . .
H7A C7 H7C 109.5 . .
H7B C7 H7C 109.5 . .
C1 C5 Ru1 70.70(16) . .
C1 C5 C4 108.9(3) . .
C1 C5 C10 123.5(3) . .
C4 C5 Ru1 72.04(16) . .
C4 C5 C10 127.0(3) . .
C10 C5 Ru1 130.4(2) . .
C21 C22 H22A 109.0 . .
C21 C22 H22B 109.0 . .
H22A C22 H22B 107.8 . .
C23 C22 C21 112.8(2) . .
C23 C22 H22A 109.0 . .
C23 C22 H22B 109.0 . .
C12 C17 H17A 109.5 . .
C12 C17 H17B 109.5 . .
C12 C17 H17C 109.5 . .
H17A C17 H17B 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
C22 C23 H23A 109.2 . .
C22 C23 H23B 109.2 . .
C22 C23 C24 111.8(2) . .
H23A C23 H23B 107.9 . .
C24 C23 H23A 109.2 . .
C24 C23 H23B 109.2 . .
C11 C16 H16A 109.5 . .
C11 C16 H16B 109.5 . .
C11 C16 H16C 109.5 . .
H16A C16 H16B 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
C13 C18 H18A 109.5 . .
C13 C18 H18B 109.5 . .
C13 C18 H18C 109.5 . .
H18A C18 H18B 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
C4 C9 H9A 109.5 . .
C4 C9 H9B 109.5 . .
C4 C9 H9C 109.5 . .
H9A C9 H9B 109.5 . .
H9A C9 H9C 109.5 . .
H9B C9 H9C 109.5 . .
C3 C8 H8A 109.5 . .
C3 C8 H8B 109.5 . .
C3 C8 H8C 109.5 . .
H8A C8 H8B 109.5 . .
H8A C8 H8C 109.5 . .
H8B C8 H8C 109.5 . .
C14 C19 H19A 109.5 . .
C14 C19 H19B 109.5 . .
C14 C19 H19C 109.5 . .
H19A C19 H19B 109.5 . .
H19A C19 H19C 109.5 . .
H19B C19 H19C 109.5 . .
C15 C20 H20A 109.5 . .
C15 C20 H20B 109.5 . .
C15 C20 H20C 109.5 . .
H20A C20 H20B 109.5 . .
H20A C20 H20C 109.5 . .
H20B C20 H20C 109.5 . .
C26 C27 H27A 109.1 . .
C26 C27 H27B 109.1 . .
C26 C27 C28 112.5(3) . .
H27A C27 H27B 107.8 . .
C28 C27 H27A 109.1 . .
C28 C27 H27B 109.1 . .
C5 C10 H10A 109.5 . .
C5 C10 H10B 109.5 . .
C5 C10 H10C 109.5 . .
H10A C10 H10B 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C29 O1 C32 106.4(4) . .
C27 C28 H28A 109.5 . .
C27 C28 H28B 109.5 . .
C27 C28 H28C 109.5 . .
H28A C28 H28B 109.5 . .
H28A C28 H28C 109.5 . .
H28B C28 H28C 109.5 . .
C23 C24 H24A 109.5 . .
C23 C24 H24B 109.5 . .
C23 C24 H24C 109.5 . .
H24A C24 H24B 109.5 . .
H24A C24 H24C 109.5 . .
H24B C24 H24C 109.5 . .
H31A C31 H31B 109.2 . .
C32 C31 H31A 111.3 . .
C32 C31 H31B 111.3 . .
C30 C31 H31A 111.3 . .
C30 C31 H31B 111.3 . .
C30 C31 C32 102.5(4) . .
O1 C32 C31 108.3(4) . .
O1 C32 H32A 110.0 . .
O1 C32 H32B 110.0 . .
C31 C32 H32A 110.0 . .
C31 C32 H32B 110.0 . .
H32A C32 H32B 108.4 . .
O1 C29 H29A 110.2 . .
O1 C29 H29B 110.2 . .
O1 C29 C30 107.4(4) . .
H29A C29 H29B 108.5 . .
C30 C29 H29A 110.2 . .
C30 C29 H29B 110.2 . .
C31 C30 C29 104.5(4) . .
C31 C30 H30A 110.9 . .
C31 C30 H30B 110.9 . .
C29 C30 H30A 110.9 . .
C29 C30 H30B 110.9 . .
H30A C30 H30B 108.9 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 P1 2.3319(7) .
Ru1 P3 2.4373(7) 2_676
Ru1 P4 2.3437(7) .
Ru1 P2 2.4284(8) 2_676
Ru1 C2 2.253(3) .
Ru1 C1 2.268(3) .
Ru1 C3 2.267(3) .
Ru1 C4 2.301(3) .
Ru1 C5 2.298(3) .
Ru2 P1 2.3378(7) .
Ru2 P3 2.5028(8) .
Ru2 P4 2.3317(7) .
Ru2 P2 2.4969(7) .
Ru2 C11 2.279(3) .
Ru2 C14 2.211(3) .
Ru2 C13 2.212(3) .
Ru2 C15 2.255(3) .
Ru2 C12 2.260(3) .
P1 P4 2.6357(10) .
P1 P2 2.1489(10) .
P1 C21 1.850(3) .
P3 Ru1 2.4373(7) 2_676
P3 P4 2.1449(10) .
P3 P2 2.3918(10) .
P4 C25 1.853(3) .
P2 Ru1 2.4284(8) 2_676
C2 C1 1.435(4) .
C2 C3 1.430(4) .
C2 C7 1.492(4) .
C11 C15 1.424(4) .
C11 C12 1.430(4) .
C11 C16 1.510(4) .
C21 H21A 0.9700 .
C21 H21B 0.9700 .
C21 C22 1.528(4) .
C25 H25A 0.9700 .
C25 H25B 0.9700 .
C25 C26 1.515(4) .
C14 C13 1.433(4) .
C14 C15 1.434(4) .
C14 C19 1.506(4) .
C1 C6 1.499(4) .
C1 C5 1.420(4) .
C13 C12 1.423(4) .
C13 C18 1.498(4) .
C3 C4 1.430(4) .
C3 C8 1.500(4) .
C4 C5 1.426(4) .
C4 C9 1.495(4) .
C15 C20 1.503(4) .
C12 C17 1.500(4) .
C6 H6A 0.9600 .
C6 H6B 0.9600 .
C6 H6C 0.9600 .
C26 H26A 0.9700 .
C26 H26B 0.9700 .
C26 C27 1.525(4) .
C7 H7A 0.9600 .
C7 H7B 0.9600 .
C7 H7C 0.9600 .
C5 C10 1.499(4) .
C22 H22A 0.9700 .
C22 H22B 0.9700 .
C22 C23 1.517(4) .
C17 H17A 0.9600 .
C17 H17B 0.9600 .
C17 H17C 0.9600 .
C23 H23A 0.9700 .
C23 H23B 0.9700 .
C23 C24 1.521(4) .
C16 H16A 0.9600 .
C16 H16B 0.9600 .
C16 H16C 0.9600 .
C18 H18A 0.9600 .
C18 H18B 0.9600 .
C18 H18C 0.9600 .
C9 H9A 0.9600 .
C9 H9B 0.9600 .
C9 H9C 0.9600 .
C8 H8A 0.9600 .
C8 H8B 0.9600 .
C8 H8C 0.9600 .
C19 H19A 0.9600 .
C19 H19B 0.9600 .
C19 H19C 0.9600 .
C20 H20A 0.9600 .
C20 H20B 0.9600 .
C20 H20C 0.9600 .
C27 H27A 0.9700 .
C27 H27B 0.9700 .
C27 C28 1.528(5) .
C10 H10A 0.9600 .
C10 H10B 0.9600 .
C10 H10C 0.9600 .
O1 C32 1.384(5) .
O1 C29 1.340(6) .
C28 H28A 0.9600 .
C28 H28B 0.9600 .
C28 H28C 0.9600 .
C24 H24A 0.9600 .
C24 H24B 0.9600 .
C24 H24C 0.9600 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 C32 1.502(6) .
C31 C30 1.471(7) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C29 H29A 0.9700 .
C29 H29B 0.9700 .
C29 C30 1.534(7) .
C30 H30A 0.9700 .
C30 H30B 0.9700 .
