#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/12/4321281.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_4321281
loop_
_publ_author_name
'Joseph N. Coalter'
'John C. Huffman'
'William E. Streib'
'Kenneth G. Caulton'
_publ_section_title
;
 A New Class of Electron-Rich Unsaturated Molecules: Ru2HnX4-n(PiPr3)4, X
 = Anion
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3757
_journal_page_last               3764
_journal_paper_doi               10.1021/ic991112y
_journal_volume                  39
_journal_year                    2000
_chemical_formula_sum            'C39 H88 Cl P4 Ru2'
_chemical_formula_weight         918.615
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                100.67(2)
_cell_angle_beta                 104.436(17)
_cell_angle_gamma                106.106(17)
_cell_formula_units_Z            2
_cell_length_a                   13.659(6)
_cell_length_b                   16.671(6)
_cell_length_c                   11.757(5)
_cell_measurement_reflns_used    18
_cell_measurement_temperature    101.
_cell_measurement_theta_max      11.25
_cell_measurement_theta_min      9.87
_cell_volume                     2396.0(18)
_computing_cell_refinement       'XTEL, local package'
_computing_data_collection       'NPS, local program'
_computing_data_reduction        'XTEL, local package'
_computing_molecular_graphics    'XTEL, local package'
_computing_publication_material  'XTEL, local package'
_computing_structure_refinement  'XTEL, local package'
_computing_structure_solution    MULTAN78
_diffrn_ambient_temperature      101.
_diffrn_measured_fraction_theta_full 0
_diffrn_measured_fraction_theta_max 1
_diffrn_measurement_device_type  'refurbished Picker diffractometer'
_diffrn_measurement_method       'θ/2θ scans'
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71069
_diffrn_reflns_av_R_equivalents  0.047
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            9964
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         24.9993
_diffrn_reflns_theta_min         3.07222
_diffrn_standards_decay_%        -0.5
_diffrn_standards_interval_count 400
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.8432
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.832
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa
_exptl_crystal_colour            black
_exptl_crystal_density_diffrn    1.273
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       irregular
_exptl_crystal_F_000             974
_exptl_crystal_size_max          .60
_exptl_crystal_size_mid          .20
_exptl_crystal_size_min          .10
_refine_diff_density_max         1.37
_refine_diff_density_min         -1.62
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       -0.00000028(6)
_refine_ls_extinction_expression
;

Larson, A. C. (1967).  Acta Cryst. 23, p. 664.  Eq. (3)

;
_refine_ls_extinction_method     Zachariasen
_refine_ls_goodness_of_fit_ref   1.1969
_refine_ls_matrix_type           full
_refine_ls_number_parameters     413
_refine_ls_number_reflns         4497
_refine_ls_R_factor_gt           0.0616
_refine_ls_shift/su_max          0.0782
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w⁻¹=σ²(F)+(.04F)²
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0477
_reflns_number_gt                4498
_reflns_number_total             8408
_reflns_threshold_expression     F²>2.33σ(F²)
_cod_data_source_file            ic991112y_2.cif
_cod_data_source_block           MSC98141
_cod_original_cell_volume        2396.1(18)
_cod_original_formula_sum        'C39 H88 Cl1 P4 Ru2'
_cod_database_code               4321281
loop_
_symmetry_equiv_pos_as_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_disorder_group
_atom_site_disorder_assembly
RU1 RU 0.18681(6) 0.34806(5) 0.19016(7) 0.0106(3) Uani 1 0 .
RU2 RU -0.00147(6) 0.24832(5) 0.24638(7) 0.0111(3) Uani 1 0 .
CL3 CL 0.00527(19) 0.34752(17) 0.1205(2) 0.0246(11) Uani 1 0 .
P4 P 0.2577(2) 0.47428(16) 0.1380(2) 0.0151(10) Uani 1 0 .
C5 C 0.1916(8) 0.5507(6) 0.1967(8) 0.021(4) Uani 1 0 .
C6 C 0.1952(9) 0.5551(7) 0.3298(10) 0.034(5) Uani 1 0 .
C7 C 0.2207(9) 0.6414(6) 0.1769(10) 0.028(5) Uani 1 0 .
C8 C 0.2274(8) 0.4804(6) -0.0245(8) 0.022(4) Uani 1 0 .
C9 C 0.1078(9) 0.4455(7) -0.0913(9) 0.030(5) Uani 1 0 .
C10 C 0.2863(8) 0.4347(6) -0.0955(8) 0.023(4) Uani 1 0 .
C11 C 0.4057(7) 0.5324(6) 0.1991(9) 0.020(4) Uani 1 0 .
C12 C 0.4531(8) 0.6104(6) 0.1554(10) 0.028(5) Uani 1 0 .
C13 C 0.4476(8) 0.5567(7) 0.3371(9) 0.033(5) Uani 1 0 .
P14 P 0.28057(19) 0.26430(16) 0.1482(2) 0.0128(10) Uani 1 0 .
C15 C 0.1953(7) 0.1659(6) 0.0170(8) 0.015(4) Uani 1 0 .
C16 C 0.1127(7) 0.0989(6) 0.0492(9) 0.021(4) Uani 1 0 .
C17 C 0.1383(8) 0.1927(6) -0.0908(9) 0.024(5) Uani 1 0 .
C18 C 0.3281(7) 0.2120(6) 0.2669(8) 0.015(4) Uani 1 0 .
C19 C 0.3785(8) 0.1439(6) 0.2342(9) 0.024(5) Uani 1 0 .
C20 C 0.3970(8) 0.2739(6) 0.3953(9) 0.022(4) Uani 1 0 .
C21 C 0.3996(8) 0.3065(6) 0.0972(9) 0.019(4) Uani 1 0 .
C22 C 0.4247(8) 0.2419(6) 0.0061(9) 0.022(4) Uani 1 0 .
C23 C 0.5019(8) 0.3600(7) 0.2047(10) 0.026(5) Uani 1 0 .
P24 P -0.1883(2) 0.19676(16) 0.1819(2) 0.0138(10) Uani 1 0 .
C25 C -0.2303(8) 0.1803(6) 0.0125(9) 0.021(4) Uani 1 0 .
C26 C -0.1697(8) 0.1316(7) -0.0515(9) 0.027(5) Uani 1 0 .
C27 C -0.3507(8) 0.1406(7) -0.0597(9) 0.033(5) Uani 1 0 .
C28 C -0.2643(7) 0.2684(6) 0.2252(9) 0.016(4) Uani 1 0 .
C29 C -0.2199(8) 0.3574(7) 0.2011(10) 0.032(5) Uani 1 0 .
C30 C -0.2615(8) 0.2815(7) 0.3574(10) 0.029(5) Uani 1 0 .
C31 C -0.2649(7) 0.0933(6) 0.2085(9) 0.018(4) Uani 1 0 .
C32 C -0.3850(8) 0.0688(7) 0.1797(10) 0.034(5) Uani 1 0 .
C33 C -0.2349(8) 0.0169(6) 0.1533(9) 0.026(5) Uani 1 0 .
P34 P 0.0500(2) 0.24463(16) 0.4389(2) 0.0141(10) Uani 1 0 .
C35 C 0.1173(7) 0.3568(6) 0.5469(8) 0.018(4) Uani 1 0 .
C36 C 0.0479(8) 0.4128(6) 0.5195(9) 0.026(5) Uani 1 0 .
C37 C 0.2294(8) 0.4017(6) 0.5457(9) 0.025(4) Uani 1 0 .
C38 C -0.0534(7) 0.1942(6) 0.5069(8) 0.018(4) Uani 1 0 .
C39 C -0.0794(8) 0.0964(7) 0.4823(9) 0.023(5) Uani 1 0 .
C40 C -0.0363(8) 0.2339(7) 0.6430(9) 0.028(5) Uani 1 0 .
C41 C 0.1592(8) 0.1980(7) 0.4795(9) 0.022(4) Uani 1 0 .
C42 C 0.1374(9) 0.1064(7) 0.4041(10) 0.032(5) Uani 1 0 .
C43 C 0.2047(8) 0.2037(7) 0.6145(10) 0.029(5) Uani 1 0 .
C44 C 0.4139(19) -0.1388(15) 0.432(2) 0.035(6) Uiso 0.5 0 .
C45 C 0.380(3) -0.093(2) 0.474(3) 0.070(9) Uiso 0.5 0 .
C46 C 0.421(4) -0.031(3) 0.504(4) 0.082(14) Uiso 0.5 0 .
C47 C 0.430(2) 0.0503(18) 0.562(2) 0.047(7) Uiso 0.5 0 .
C48 C 0.495(2) 0.1229(18) 0.589(2) 0.053(7) Uiso 0.5 0 .
C49 C 0.455(3) 0.004(3) 0.517(3) 0.061(11) Uiso 0.5 0 .
HA H 0.1274 0.2284 0.2325 0.038 Uiso 1 0 .
HB H 0.2989 0.4009 0.2726 0.038 Uiso 1 0 .
HC H 0.9202 0.1227 0.185 0.038 Uiso 1 0 .
H1 H 0.1183 0.524 0.1518 0.0299 Uiso 1 0 .
H2 H 0.1737 0.498 0.3374 0.0422 Uiso 1 0 .
H3 H 0.2655 0.5872 0.3823 0.0422 Uiso 1 0 .
H4 H 0.1465 0.583 0.3479 0.0422 Uiso 1 0 .
H5 H 0.2914 0.6745 0.2262 0.0417 Uiso 1 0 .
H6 H 0.2148 0.6347 0.0928 0.0417 Uiso 1 0 .
H7 H 0.1715 0.6673 0.1959 0.0417 Uiso 1 0 .
H8 H 0.2538 0.5403 -0.0216 0.0343 Uiso 1 0 .
H9 H 0.0727 0.4766 -0.0491 0.0394 Uiso 1 0 .
H10 H 0.0943 0.452 -0.1721 0.0394 Uiso 1 0 .
H11 H 0.0794 0.3856 -0.0958 0.0394 Uiso 1 0 .
H12 H 0.2634 0.3751 -0.0998 0.0361 Uiso 1 0 .
H13 H 0.2732 0.4431 -0.1741 0.0361 Uiso 1 0 .
H14 H 0.3627 0.4596 -0.0527 0.0361 Uiso 1 0 .
H15 H 0.4359 0.4905 0.1726 0.0321 Uiso 1 0 .
H16 H 0.5288 0.6273 0.1825 0.0394 Uiso 1 0 .
H17 H 0.4276 0.5942 0.0678 0.0394 Uiso 1 0 .
H18 H 0.4309 0.6566 0.1855 0.0394 Uiso 1 0 .
H19 H 0.4178 0.5074 0.3636 0.0455 Uiso 1 0 .
H20 H 0.5229 0.5733 0.3624 0.0455 Uiso 1 0 .
H21 H 0.4256 0.6027 0.3687 0.0455 Uiso 1 0 .
H22 H 0.2408 0.1386 -0.0089 0.0252 Uiso 1 0 .
H23 H 0.0625 0.1235 0.0704 0.0341 Uiso 1 0 .
H24 H 0.0762 0.0494 -0.019 0.0341 Uiso 1 0 .
H25 H 0.1489 0.0828 0.1164 0.0341 Uiso 1 0 .
H26 H 0.0889 0.218 -0.0683 0.0384 Uiso 1 0 .
H27 H 0.1902 0.2339 -0.11 0.0384 Uiso 1 0 .
H28 H 0.101 0.1433 -0.1581 0.0384 Uiso 1 0 .
H29 H 0.264 0.1795 0.2797 0.0297 Uiso 1 0 .
H30 H 0.3845 0.1125 0.2937 0.0381 Uiso 1 0 .
H31 H 0.336 0.1049 0.1564 0.0381 Uiso 1 0 .
H32 H 0.4489 0.172 0.2312 0.0381 Uiso 1 0 .
H33 H 0.4019 0.2416 0.4532 0.0345 Uiso 1 0 .
H34 H 0.467 0.3024 0.3928 0.0345 Uiso 1 0 .
H35 H 0.3647 0.3155 0.4156 0.0345 Uiso 1 0 .
H36 H 0.3837 0.3476 0.0556 0.0339 Uiso 1 0 .
H37 H 0.3612 0.2095 -0.0599 0.0377 Uiso 1 0 .
H38 H 0.4787 0.2723 -0.0221 0.0377 Uiso 1 0 .
H39 H 0.4493 0.2031 0.0471 0.0377 Uiso 1 0 .
H40 H 0.526 0.3221 0.2459 0.0366 Uiso 1 0 .
H41 H 0.5549 0.3898 0.1743 0.0366 Uiso 1 0 .
H42 H 0.4859 0.4006 0.2589 0.0366 Uiso 1 0 .
H43 H -0.2093 0.237 0.0009 0.0334 Uiso 1 0 .
H44 H -0.1946 0.0724 -0.054 0.0396 Uiso 1 0 .
H45 H -0.1824 0.1369 -0.1335 0.0396 Uiso 1 0 .
H46 H -0.0952 0.1567 -0.0089 0.0396 Uiso 1 0 .
H47 H -0.3878 0.1723 -0.0208 0.0463 Uiso 1 0 .
H48 H -0.3618 0.1453 -0.1403 0.0463 Uiso 1 0 .
H49 H -0.376 0.0822 -0.0591 0.0463 Uiso 1 0 .
H50 H -0.3369 0.2415 0.1759 0.0275 Uiso 1 0 .
H51 H -0.1476 0.3862 0.2516 0.045 Uiso 1 0 .
H52 H -0.2244 0.3492 0.118 0.045 Uiso 1 0 .
H53 H -0.2622 0.3921 0.2199 0.045 Uiso 1 0 .
H54 H -0.1884 0.3093 0.4098 0.0407 Uiso 1 0 .
H55 H -0.3016 0.3179 0.3747 0.0407 Uiso 1 0 .
H56 H -0.2902 0.2275 0.3721 0.0407 Uiso 1 0 .
H57 H -0.2382 0.1015 0.2938 0.0308 Uiso 1 0 .
H58 H -0.4021 0.1171 0.2152 0.048 Uiso 1 0 .
H59 H -0.4192 0.0512 0.0939 0.048 Uiso 1 0 .
H60 H -0.4111 0.0219 0.2126 0.048 Uiso 1 0 .
H61 H -0.2603 -0.0304 0.1844 0.0382 Uiso 1 0 .
H62 H -0.2671 -0.0003 0.0664 0.0382 Uiso 1 0 .
H63 H -0.1591 0.0337 0.1723 0.0382 Uiso 1 0 .
H64 H 0.1237 0.3523 0.6269 0.0305 Uiso 1 0 .
H65 H 0.078 0.4677 0.5775 0.0373 Uiso 1 0 .
H66 H 0.0413 0.4203 0.4396 0.0373 Uiso 1 0 .
H67 H -0.0226 0.3842 0.5219 0.0373 Uiso 1 0 .
H68 H 0.273 0.3674 0.5652 0.0344 Uiso 1 0 .
H69 H 0.2268 0.4093 0.4668 0.0344 Uiso 1 0 .
H70 H 0.2601 0.457 0.6043 0.0344 Uiso 1 0 .
H71 H -0.1168 0.2015 0.4631 0.0311 Uiso 1 0 .
H72 H -0.1441 0.0714 0.4983 0.0378 Uiso 1 0 .
H73 H -0.0885 0.0718 0.3983 0.0378 Uiso 1 0 .
H74 H -0.0225 0.0839 0.5322 0.0378 Uiso 1 0 .
H75 H 0.0211 0.222 0.6922 0.0397 Uiso 1 0 .
H76 H -0.0192 0.2952 0.6576 0.0397 Uiso 1 0 .
H77 H -0.1002 0.21 0.6604 0.0397 Uiso 1 0 .
H78 H 0.2171 0.2339 0.4606 0.0335 Uiso 1 0 .
H79 H 0.0854 0.066 0.4253 0.0445 Uiso 1 0 .
H80 H 0.1105 0.1022 0.3195 0.0445 Uiso 1 0 .
H81 H 0.202 0.0934 0.4199 0.0445 Uiso 1 0 .
H82 H 0.1545 0.1651 0.6394 0.0434 Uiso 1 0 .
H83 H 0.2696 0.1903 0.6293 0.0434 Uiso 1 0 .
H84 H 0.2217 0.2619 0.6639 0.0434 Uiso 1 0 .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
RU Ru -1.42 0.836 'International Tables Vol. IV (1974) Table 2.2B'
CL Cl 0.132 0.159 'International Tables Vol. IV (1974) Table 2.2B'
P P 0.09 0.095 'International Tables Vol. IV (1974) Table 2.2B'
C C 0.002 0.002 'International Tables Vol. IV (1974) Table 2.2B'
H H 0 0 'International Tables Vol. IV (1974) Table 2.2B'
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_2
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
CL3 RU1 P4 93.41(9) . . . no
CL3 RU1 P14 138.31(10) . . . no
CL3 RU1 HA 89.01(7) . . . no
CL3 RU1 HB 144.49(8) . . . no
P4 RU1 P14 106.04(10) . . . no
P4 RU1 HA 176.38(7) . . . no
P4 RU1 HB 67.51(7) . . . no
P14 RU1 HA 70.40(7) . . . no
P14 RU1 HB 77.07(8) . . . no
HA RU1 HB 111.75(5) . . . no
CL3 RU2 P24 92.76(9) . . . no
CL3 RU2 P34 141.99(10) . . . no
CL3 RU2 HA 94.09(7) . . . no
CL3 RU2 HC 124.40(8) . . 1_455 no
P24 RU2 P34 105.86(10) . . . no
P24 RU2 HA 147.03(8) . . . no
P24 RU2 HC 60.21(7) . . 1_455 no
P34 RU2 HA 87.93(7) . . . no
P34 RU2 HC 93.52(8) . . 1_455 no
HA RU2 HC 89.72(4) . . 1_455 no
RU1 CL3 RU2 75.45(8) . . . no
RU1 P4 C5 105.1(3) . . . no
RU1 P4 C8 122.6(3) . . . no
RU1 P4 C11 118.8(3) . . . no
C5 P4 C8 99.2(4) . . . no
C5 P4 C11 107.4(4) . . . no
C8 P4 C11 101.4(5) . . . no
RU1 P14 C15 111.0(3) . . . no
RU1 P14 C18 116.6(3) . . . no
RU1 P14 C21 120.1(3) . . . no
C15 P14 C18 100.5(4) . . . no
C15 P14 C21 101.3(4) . . . no
C18 P14 C21 104.6(4) . . . no
RU2 P24 C25 105.3(3) . . . no
RU2 P24 C28 120.6(3) . . . no
RU2 P24 C31 121.1(3) . . . no
C25 P24 C28 100.0(4) . . . no
C25 P24 C31 106.5(4) . . . no
C28 P24 C31 100.8(4) . . . no
RU2 P34 C35 111.8(3) . . . no
RU2 P34 C38 119.3(3) . . . no
RU2 P34 C41 115.2(3) . . . no
C35 P34 C38 101.9(4) . . . no
C35 P34 C41 100.1(4) . . . no
C38 P34 C41 106.1(4) . . . no
P4 C5 C6 112.2(7) . . . no
P4 C5 C7 118.7(7) . . . no
P4 C5 H1 104.7(7) . . . no
C6 C5 C7 111.1(8) . . . no
C6 C5 H1 104.0(8) . . . no
C7 C5 H1 104.4(9) . . . no
C5 C6 H2 108.5(9) . . . no
C5 C6 H3 109.3(9) . . . no
C5 C6 H4 108.3(9) . . . no
H2 C6 H3 110.8(11) . . . no
H2 C6 H4 109.9(11) . . . no
H3 C6 H4 110.0(10) . . . no
C5 C7 H5 109.5(9) . . . no
C5 C7 H6 107.6(9) . . . no
C5 C7 H7 108.7(9) . . . no
H5 C7 H6 110.1(10) . . . no
H5 C7 H7 111.1(10) . . . no
H6 C7 H7 109.7(11) . . . no
P4 C8 C9 111.6(7) . . . no
P4 C8 C10 112.8(7) . . . no
P4 C8 H8 106.9(7) . . . no
C9 C8 C10 110.5(8) . . . no
C9 C8 H8 108.3(9) . . . no
C10 C8 H8 106.5(9) . . . no
C8 C9 H9 109.7(9) . . . no
C8 C9 H10 110.0(9) . . . no
C8 C9 H11 110.0(9) . . . no
H9 C9 H10 109.0(10) . . . no
H9 C9 H11 109.2(10) . . . no
H10 C9 H11 109.0(10) . . . no
C8 C10 H12 109.7(9) . . . no
C8 C10 H13 109.9(9) . . . no
C8 C10 H14 109.0(8) . . . no
H12 C10 H13 110.9(9) . . . no
H12 C10 H14 108.6(10) . . . no
H13 C10 H14 108.8(9) . . . no
P4 C11 C12 118.6(7) . . . no
P4 C11 C13 112.3(7) . . . no
P4 C11 H15 104.7(7) . . . no
C12 C11 C13 109.2(9) . . . no
C12 C11 H15 105.7(9) . . . no
C13 C11 H15 105.3(9) . . . no
C11 C12 H16 109.4(9) . . . no
C11 C12 H17 108.8(9) . . . no
C11 C12 H18 109.7(9) . . . no
H16 C12 H17 109.2(10) . . . no
H16 C12 H18 110.6(10) . . . no
H17 C12 H18 109.1(11) . . . no
C11 C13 H19 108.6(9) . . . no
C11 C13 H20 108.9(9) . . . no
C11 C13 H21 108.9(10) . . . no
H19 C13 H20 110.1(11) . . . no
H19 C13 H21 109.6(11) . . . no
H20 C13 H21 110.8(11) . . . no
P14 C15 C16 113.8(6) . . . no
P14 C15 C17 110.3(6) . . . no
P14 C15 H22 108.3(7) . . . no
C16 C15 C17 109.6(8) . . . no
C16 C15 H22 107.6(8) . . . no
C17 C15 H22 107.0(8) . . . no
C15 C16 H23 109.5(8) . . . no
C15 C16 H24 109.4(9) . . . no
C15 C16 H25 108.9(8) . . . no
H23 C16 H24 109.6(9) . . . no
H23 C16 H25 109.6(10) . . . no
H24 C16 H25 109.8(9) . . . no
C15 C17 H26 108.8(9) . . . no
C15 C17 H27 108.8(9) . . . no
C15 C17 H28 109.3(9) . . . no
H26 C17 H27 109.6(10) . . . no
H26 C17 H28 109.8(10) . . . no
H27 C17 H28 110.5(10) . . . no
P14 C18 C19 118.0(6) . . . no
P14 C18 C20 116.0(6) . . . no
P14 C18 H29 104.5(6) . . . no
C19 C18 C20 109.4(7) . . . no
C19 C18 H29 103.3(8) . . . no
C20 C18 H29 103.5(8) . . . no
C18 C19 H30 110.4(9) . . . no
C18 C19 H31 109.9(9) . . . no
C18 C19 H32 109.3(9) . . . no
H30 C19 H31 109.6(9) . . . no
H30 C19 H32 108.8(10) . . . no
H31 C19 H32 108.8(9) . . . no
C18 C20 H33 109.5(9) . . . no
C18 C20 H34 108.4(9) . . . no
C18 C20 H35 109.0(8) . . . no
H33 C20 H34 109.7(9) . . . no
H33 C20 H35 110.5(10) . . . no
H34 C20 H35 109.7(10) . . . no
P14 C21 C22 118.2(7) . . . no
P14 C21 C23 112.4(7) . . . no
P14 C21 H36 104.9(7) . . . no
C22 C21 C23 109.9(8) . . . no
C22 C21 H36 105.6(9) . . . no
C23 C21 H36 104.4(8) . . . no
C21 C22 H37 109.2(9) . . . no
C21 C22 H38 109.8(8) . . . no
C21 C22 H39 108.7(9) . . . no
H37 C22 H38 110.5(10) . . . no
H37 C22 H39 109.1(9) . . . no
H38 C22 H39 109.5(10) . . . no
C21 C23 H40 108.8(9) . . . no
C21 C23 H41 108.9(10) . . . no
C21 C23 H42 109.1(8) . . . no
H40 C23 H41 110.4(10) . . . no
H40 C23 H42 109.9(11) . . . no
H41 C23 H42 109.7(10) . . . no
P24 C25 C26 113.4(7) . . . no
P24 C25 C27 118.2(7) . . . no
P24 C25 H43 105.7(7) . . . no
C26 C25 C27 108.7(8) . . . no
C26 C25 H43 105.3(9) . . . no
C27 C25 H43 104.3(9) . . . no
C25 C26 H44 109.9(9) . . . no
C25 C26 H45 109.1(9) . . . no
C25 C26 H46 109.3(9) . . . no
H44 C26 H45 109.2(10) . . . no
H44 C26 H46 110.6(10) . . . no
H45 C26 H46 108.8(10) . . . no
C25 C27 H47 108.3(9) . . . no
C25 C27 H48 109.6(9) . . . no
C25 C27 H49 109.3(9) . . . no
H47 C27 H48 109.3(11) . . . no
H47 C27 H49 109.6(10) . . . no
H48 C27 H49 110.9(11) . . . no
P24 C28 C29 110.2(6) . . . no
P24 C28 C30 112.8(7) . . . no
P24 C28 H50 108.0(7) . . . no
C29 C28 C30 109.7(8) . . . no
C29 C28 H50 108.6(9) . . . no
C30 C28 H50 107.5(8) . . . no
C28 C29 H51 109.9(9) . . . no
C28 C29 H52 109.6(9) . . . no
C28 C29 H53 108.9(9) . . . no
H51 C29 H52 110.2(11) . . . no
H51 C29 H53 109.0(10) . . . no
H52 C29 H53 109.2(10) . . . no
C28 C30 H54 109.3(9) . . . no
C28 C30 H55 109.6(9) . . . no
C28 C30 H56 110.1(9) . . . no
H54 C30 H55 108.6(10) . . . no
H54 C30 H56 109.1(10) . . . no
H55 C30 H56 110.0(10) . . . no
P24 C31 C32 118.8(7) . . . no
P24 C31 C33 111.6(6) . . . no
P24 C31 H57 104.8(7) . . . no
C32 C31 C33 111.0(8) . . . no
C32 C31 H57 104.8(8) . . . no
C33 C31 H57 104.2(9) . . . no
C31 C32 H58 109.8(9) . . . no
C31 C32 H59 110.2(9) . . . no
C31 C32 H60 109.6(10) . . . no
H58 C32 H59 109.4(11) . . . no
H58 C32 H60 108.8(10) . . . no
H59 C32 H60 109.0(10) . . . no
C31 C33 H61 109.9(9) . . . no
C31 C33 H62 109.3(9) . . . no
C31 C33 H63 109.6(9) . . . no
H61 C33 H62 109.2(10) . . . no
H61 C33 H63 109.9(10) . . . no
H62 C33 H63 108.9(9) . . . no
P34 C35 C36 110.1(6) . . . no
P34 C35 C37 114.0(6) . . . no
P34 C35 H64 108.4(7) . . . no
C36 C35 C37 109.8(8) . . . no
C36 C35 H64 107.6(8) . . . no
C37 C35 H64 106.8(8) . . . no
C35 C36 H65 110.8(9) . . . no
C35 C36 H66 110.1(8) . . . no
C35 C36 H67 109.1(9) . . . no
H65 C36 H66 109.4(10) . . . no
H65 C36 H67 109.2(9) . . . no
H66 C36 H67 108.2(10) . . . no
C35 C37 H68 109.6(9) . . . no
C35 C37 H69 109.9(9) . . . no
C35 C37 H70 110.0(9) . . . no
H68 C37 H69 109.0(10) . . . no
H68 C37 H70 109.2(9) . . . no
H69 C37 H70 109.1(10) . . . no
P34 C38 C39 112.4(6) . . . no
P34 C38 C40 118.4(7) . . . no
P34 C38 H71 104.7(7) . . . no
C39 C38 C40 109.3(8) . . . no
C39 C38 H71 105.3(9) . . . no
C40 C38 H71 105.6(8) . . . no
C38 C39 H72 109.7(9) . . . no
C38 C39 H73 109.4(8) . . . no
C38 C39 H74 110.2(9) . . . no
H72 C39 H73 108.9(10) . . . no
H72 C39 H74 109.8(9) . . . no
H73 C39 H74 108.8(10) . . . no
C38 C40 H75 109.6(9) . . . no
C38 C40 H76 108.6(9) . . . no
C38 C40 H77 109.0(9) . . . no
H75 C40 H76 109.5(10) . . . no
H75 C40 H77 110.5(10) . . . no
H76 C40 H77 109.6(10) . . . no
P34 C41 C42 116.3(7) . . . no
P34 C41 C43 116.2(7) . . . no
P34 C41 H78 104.2(7) . . . no
C42 C41 C43 108.7(8) . . . no
C42 C41 H78 105.0(9) . . . no
C43 C41 H78 105.1(9) . . . no
C41 C42 H79 109.6(9) . . . no
C41 C42 H80 109.7(9) . . . no
C41 C42 H81 109.7(10) . . . no
H79 C42 H80 109.1(11) . . . no
H79 C42 H81 109.4(10) . . . no
H80 C42 H81 109.4(10) . . . no
C41 C43 H82 111.0(10) . . . no
C41 C43 H83 110.3(9) . . . no
C41 C43 H84 110.0(9) . . . no
H82 C43 H83 109.3(10) . . . no
H82 C43 H84 108.4(10) . . . no
H83 C43 H84 107.7(10) . . . no
C45 C44 C46 28(2) . . . no
C45 C44 C48 129(3) . . 2_656 no
C46 C44 C48 101(2) . . 2_656 no
C44 C45 C46 120(5) . . . no
C44 C45 C49 114(3) . . . no
C46 C45 C49 6(4) . . . no
C44 C46 C45 32(3) . . . no
C44 C46 C47 178(3) . . . no
C44 C46 C49 82(2) . . 2_656 no
C44 C46 C49 132(8) . . . no
C45 C46 C47 149(5) . . . no
C45 C46 C49 114(4) . . 2_656 no
C45 C46 C49 164(10) . . . no
C47 C46 C49 97(4) . . 2_656 no
C47 C46 C49 47(5) . . . no
C49 C46 C49 50(7) 2_656 . . no
C46 C47 C48 136(4) . . . no
C46 C47 C49 25(3) . . . no
C48 C47 C49 111(4) . . . no
C44 C48 C47 123(3) 2_656 . . no
C44 C48 C49 92(2) 2_656 . . no
C47 C48 C49 31.5(18) . . . no
C45 C49 C46 10(6) . . . no
C45 C49 C46 120(3) . . 2_656 no
C45 C49 C47 118(3) . . . no
C45 C49 C48 155(2) . . . no
C45 C49 C49 101(4) . . 2_656 no
C46 C49 C46 130(7) . . 2_656 no
C46 C49 C47 108(7) . . . no
C46 C49 C47 121(4) 2_656 . . no
C46 C49 C48 145(7) . . . no
C46 C49 C48 84(3) 2_656 . . no
C46 C49 C49 111(8) . . 2_656 no
C46 C49 C49 19(2) 2_656 . 2_656 no
C47 C49 C48 37(2) . . . no
C47 C49 C49 140(6) . . 2_656 no
C48 C49 C49 103(4) . . 2_656 no
RU1 HA RU2 93.23(4) . . . no
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_1
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
RU1 CL3 2.407(3) . . no
RU1 P4 2.321(3) . . no
RU1 P14 2.210(3) . . no
RU1 HA 2.1339(11) . . no
RU1 HB 1.5015(10) . . no
RU2 CL3 2.413(3) . . no
RU2 P24 2.324(3) . . no
RU2 P34 2.214(3) . . no
RU2 HA 1.9193(11) . . no
RU2 HC 1.9648(12) . 1_455 no
P4 C5 1.882(10) . . no
P4 C8 1.879(9) . . no
P4 C11 1.863(9) . . no
P14 C15 1.880(9) . . no
P14 C18 1.856(9) . . no
P14 C21 1.873(10) . . no
P24 C25 1.874(10) . . no
P24 C28 1.868(9) . . no
P24 C31 1.879(9) . . no
P34 C35 1.881(9) . . no
P34 C38 1.869(10) . . no
P34 C41 1.867(10) . . no
C5 C6 1.542(13) . . no
C5 C7 1.529(13) . . no
C5 H1 0.938(9) . . no
C6 H2 0.943(11) . . no
C6 H3 0.942(11) . . no
C6 H4 0.952(10) . . no
C7 H5 0.938(11) . . no
C7 H6 0.955(10) . . no
C7 H7 0.943(10) . . no
C8 C9 1.513(14) . . no
C8 C10 1.537(13) . . no
C8 H8 0.954(10) . . no
C9 H9 0.952(10) . . no
C9 H10 0.954(10) . . no
C9 H11 0.952(11) . . no
C10 H12 0.943(10) . . no
C10 H13 0.941(9) . . no
C10 H14 0.967(10) . . no
C11 C12 1.524(13) . . no
C11 C13 1.513(14) . . no
C11 H15 0.948(10) . . no
C12 H16 0.943(10) . . no
C12 H17 0.960(11) . . no
C12 H18 0.944(10) . . no
C13 H19 0.954(11) . . no
C13 H20 0.939(10) . . no
C13 H21 0.945(11) . . no
C15 C16 1.527(12) . . no
C15 C17 1.524(13) . . no
C15 H22 0.942(9) . . no
C16 H23 0.950(9) . . no
C16 H24 0.949(9) . . no
C16 H25 0.948(10) . . no
C17 H26 0.954(10) . . no
C17 H27 0.945(10) . . no
C17 H28 0.942(10) . . no
C18 C19 1.522(12) . . no
C18 C20 1.551(13) . . no
C18 H29 0.956(9) . . no
C19 H30 0.949(9) . . no
C19 H31 0.950(10) . . no
C19 H32 0.958(10) . . no
C20 H33 0.944(10) . . no
C20 H34 0.954(10) . . no
C20 H35 0.944(10) . . no
C21 C22 1.544(12) . . no
C21 C23 1.535(13) . . no
C21 H36 0.954(9) . . no
C22 H37 0.946(10) . . no
C22 H38 0.942(9) . . no
C22 H39 0.958(10) . . no
C23 H40 0.944(10) . . no
C23 H41 0.946(10) . . no
C23 H42 0.951(11) . . no
C25 C26 1.539(13) . . no
C25 C27 1.535(13) . . no
C25 H43 0.953(10) . . no
C26 H44 0.942(11) . . no
C26 H45 0.962(10) . . no
C26 H46 0.946(10) . . no
C27 H47 0.959(11) . . no
C27 H48 0.944(10) . . no
C27 H49 0.940(11) . . no
C28 C29 1.547(13) . . no
C28 C30 1.517(13) . . no
C28 H50 0.944(9) . . no
C29 H51 0.947(10) . . no
C29 H52 0.945(11) . . no
C29 H53 0.959(10) . . no
C30 H54 0.960(10) . . no
C30 H55 0.950(9) . . no
C30 H56 0.944(11) . . no
C31 C32 1.508(13) . . no
C31 C33 1.525(13) . . no
C31 H57 0.947(10) . . no
C32 H58 0.951(11) . . no
C32 H59 0.949(11) . . no
C32 H60 0.957(11) . . no
C33 H61 0.946(10) . . no
C33 H62 0.957(10) . . no
C33 H63 0.949(10) . . no
C35 C36 1.526(13) . . no
C35 C37 1.510(13) . . no
C35 H64 0.942(9) . . no
C36 H65 0.945(10) . . no
C36 H66 0.956(10) . . no
C36 H67 0.959(10) . . no
C37 H68 0.952(10) . . no
C37 H69 0.953(10) . . no
C37 H70 0.951(10) . . no
C38 C39 1.523(13) . . no
C38 C40 1.545(13) . . no
C38 H71 0.942(9) . . no
C39 H72 0.947(9) . . no
C39 H73 0.960(10) . . no
C39 H74 0.949(10) . . no
C40 H75 0.944(10) . . no
C40 H76 0.955(11) . . no
C40 H77 0.943(10) . . no
C41 C42 1.523(14) . . no
C41 C43 1.529(13) . . no
C41 H78 0.952(10) . . no
C42 H79 0.952(11) . . no
C42 H80 0.952(11) . . no
C42 H81 0.949(10) . . no
C43 H82 0.946(10) . . no
C43 H83 0.955(10) . . no
C43 H84 0.966(11) . . no
C44 C45 1.10(3) . . no
C44 C46 1.80(5) . . no
C44 C48 1.29(3) . 2_656 no
C45 C46 0.97(4) . . no
C45 C49 1.56(5) . . no
C46 C47 1.36(5) . . no
C46 C49 0.60(6) . . no
C46 C49 1.71(4) . 2_656 no
C47 C48 1.22(3) . . no
C47 C49 1.05(4) . . no
C48 C49 1.88(5) . . no
C49 C49 1.40(7) . 2_656 no
