#------------------------------------------------------------------------------
#$Date: 2018-09-14 14:21:10 +0200 (vie 14 de sep de 2018) $
#$Revision: 210948 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/12/7051242.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_7051242
loop_
_publ_author_name
'Coalter, III, Joseph N.'
'Bollinger, John C.'
'Huffman, John C.'
'Werner--Zwanziger, Ulrike'
'Caulton, Kenneth G.'
'Davidson, Ernest R.'
'Gérard, Hélène'
'Clot, Eric'
'Eisenstein, Odile'
_publ_section_title
;
 Coordinated carbenes from electron-rich olefins on RuHCl(PPr3i)2
;
_journal_coden_ASTM              NJCHE5
_journal_issue                   1
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              9
_journal_page_last               26
_journal_paper_doi               10.1039/a907624g
_journal_volume                  24
_journal_year                    2000
_chemical_formula_sum            'C24 H52 Cl N O P2 Ru'
_chemical_formula_weight         569.153
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yab'
_space_group_name_H-M_alt        'P 1 21/a 1'
_audit_creation_method
'minor manual editing of SDT2CIF v. 1.2 BETA  output'
_cell_angle_alpha                90
_cell_angle_beta                 100.297(19)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   16.124(6)
_cell_length_b                   11.289(4)
_cell_length_c                   16.313(6)
_cell_measurement_temperature    102.
_cell_volume                     2921.6(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      102.
_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  0.027
_diffrn_reflns_limit_h_max       1
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5579
_diffrn_reflns_theta_full        0
_diffrn_reflns_theta_max         24.9871
_diffrn_reflns_theta_min         3.06098
_diffrn_standards_decay_%        2.3
_diffrn_standards_interval_count 250
_diffrn_standards_number         4
_exptl_absorpt_coefficient_mu    0.7529
_exptl_absorpt_correction_T_max  0.951
_exptl_absorpt_correction_T_min  0.904
_exptl_absorpt_correction_type   analytical
_exptl_absorpt_process_details   Tompa
_exptl_crystal_colour            purple
_exptl_crystal_density_diffrn    1.294
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             1208
_exptl_crystal_size_max          .34
_exptl_crystal_size_mid          .12
_exptl_crystal_size_min          .12
_refine_diff_density_max         0.68
_refine_diff_density_min         -0.57
_refine_ls_abs_structure_details none
_refine_ls_extinction_coef       -0.00000040(5)
_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   1.229
_refine_ls_matrix_type           full
_refine_ls_number_parameters     454
_refine_ls_number_reflns         3917
_refine_ls_R_factor_gt           0.046
_refine_ls_shift/su_max          0.231
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details     w⁻¹=σ²(F)+(.03F)²
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0349
_reflns_number_gt                3588
_reflns_number_total             5136
_reflns_threshold_expression     F²>2.33σ(F²)
_cod_depositor_comments
;
 Adding additional data from the original supplementary material.

 Antanas Vaitkus,
 2018-09-14
;
_cod_original_sg_symbol_H-M      'P 21/a'
_cod_original_formula_sum        'C24 H52 Cl1 N1 O1 P2 Ru1'
_cod_database_code               7051242
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 x,y,z
2 1/2-x,1/2+y,-z
3 1/2+x,1/2-y,z
4 -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 0.93692(2) 0.14036(3) 0.24748(2) 0.01595(12) Uani 1 0 .
CL2 CL 0.78904(7) 0.17838(10) 0.27468(8) 0.0245(4) Uani 1 0 .
P3 P 0.96812(7) 0.34140(11) 0.28049(8) 0.0201(4) Uani 1 0 .
C4 C 1.0815(3) 0.3785(5) 0.3174(4) 0.034(2) Uani 1 0 .
C5 C 1.1132(4) 0.3307(7) 0.4047(4) 0.047(3) Uani 1 0 .
C6 C 1.1096(4) 0.5071(6) 0.3114(5) 0.047(3) Uani 1 0 .
C7 C 0.9061(3) 0.4067(5) 0.3541(3) 0.0256(18) Uani 1 0 .
C8 C 0.9115(4) 0.3341(6) 0.4339(4) 0.038(2) Uani 1 0 .
C9 C 0.9155(4) 0.5396(6) 0.3713(5) 0.041(2) Uani 1 0 .
C10 C 0.9407(4) 0.4405(5) 0.1885(3) 0.0303(19) Uani 1 0 .
C11 C 0.8466(4) 0.4386(6) 0.1534(4) 0.037(2) Uani 1 0 .
C12 C 0.9908(5) 0.4140(6) 0.1203(4) 0.043(3) Uani 1 0 .
P13 P 0.87766(8) -0.02589(12) 0.17004(9) 0.0250(4) Uani 1 0 .
C14 C 0.9578(3) -0.1337(5) 0.1442(4) 0.0321(19) Uani 1 0 .
C15 C 0.9321(4) -0.2205(6) 0.0725(5) 0.044(3) Uani 1 0 .
C16 C 1.0037(4) -0.1977(6) 0.2212(5) 0.039(2) Uani 1 0 .
C17 C 0.7976(3) -0.1113(5) 0.2162(4) 0.040(2) Uani 1 0 .
C18 C 0.8262(4) -0.1352(7) 0.3075(5) 0.052(3) Uani 1 0 .
C19 C 0.7599(5) -0.2204(7) 0.1679(7) 0.069(4) Uani 1 0 .
C20 C 0.8185(4) 0.0122(6) 0.0643(4) 0.040(2) Uani 1 0 .
C21 C 0.8727(4) 0.0691(6) 0.0100(4) 0.042(2) Uani 1 0 .
C22 C 0.7415(5) 0.0903(8) 0.0680(5) 0.057(3) Uani 1 0 .
O23 O 0.9763(2) 0.0574(3) 0.3755(2) 0.0326(13) Uani 1 0 .
C24 C 1.0522(3) 0.0316(5) 0.3816(3) 0.038(2) Uani 1 0 .
C25 C 1.1119(6) -0.0035(10) 0.4613(6) 0.022(2) Uiso 0.5 0 .
C26 C 1.1890(7) -0.0525(11) 0.4225(7) 0.031(3) Uiso 0.5 0 .
C27 C 1.1844(3) 0.0192(6) 0.3410(4) 0.048(2) Uani 1 0 .
N28 N 1.0947(2) 0.0526(4) 0.3189(3) 0.0279(15) Uani 1 0 .
C29 C 1.0501(3) 0.1035(4) 0.2449(3) 0.0212(15) Uani 1 0 .
C30 C 1.1052(3) 0.1174(5) 0.1805(4) 0.0263(19) Uani 1 0 .
C25A C 1.1051(8) -0.0525(12) 0.4432(8) 0.036(3) Uiso 0.5 0 .
C26A C 1.1965(7) 0.0035(11) 0.4361(7) 0.033(3) Uiso 0.5 0 .
H1 H 0.926(2) 0.187(3) 0.177(2) 0.000(10) Uiso 1 0 .
H2 H 1.105(3) 0.338(4) 0.279(3) 0.035(16) Uiso 1 0 .
H3 H 1.096(3) 0.256(4) 0.421(3) 0.008(12) Uiso 1 0 .
H4 H 1.175(4) 0.317(5) 0.413(4) 0.06(2) Uiso 1 0 .
H5 H 1.103(3) 0.385(5) 0.447(3) 0.037(16) Uiso 1 0 .
H6 H 1.167(4) 0.508(5) 0.326(4) 0.06(2) Uiso 1 0 .
H7 H 1.099(4) 0.538(6) 0.254(4) 0.06(2) Uiso 1 0 .
H8 H 1.089(3) 0.551(4) 0.351(3) 0.030(15) Uiso 1 0 .
H9 H 0.858(3) 0.396(4) 0.328(3) 0.015(13) Uiso 1 0 .
H10 H 0.870(3) 0.359(5) 0.466(3) 0.041(15) Uiso 1 0 .
H11 H 0.904(4) 0.241(5) 0.423(3) 0.055(19) Uiso 1 0 .
H12 H 0.968(4) 0.342(6) 0.466(4) 0.07(2) Uiso 1 0 .
H13 H 0.967(3) 0.550(5) 0.408(3) 0.037(16) Uiso 1 0 .
H14 H 0.916(4) 0.581(5) 0.324(4) 0.05(2) Uiso 1 0 .
H15 H 0.873(3) 0.568(5) 0.403(3) 0.045(17) Uiso 1 0 .
H16 H 0.958(3) 0.521(4) 0.205(3) 0.018(12) Uiso 1 0 .
H17 H 0.809(3) 0.467(4) 0.195(3) 0.030(14) Uiso 1 0 .
H18 H 0.835(3) 0.487(5) 0.103(3) 0.040(16) Uiso 1 0 .
H19 H 0.831(3) 0.352(5) 0.134(3) 0.041(16) Uiso 1 0 .
H20 H 0.979(4) 0.334(6) 0.098(4) 0.06(2) Uiso 1 0 .
H21 H 0.980(3) 0.471(5) 0.072(3) 0.047(17) Uiso 1 0 .
H22 H 1.051(3) 0.405(4) 0.144(3) 0.025(14) Uiso 1 0 .
H23 H 0.991(3) -0.093(4) 0.125(3) 0.012(13) Uiso 1 0 .
H24 H 0.897(4) -0.275(6) 0.091(4) 0.07(2) Uiso 1 0 .
H25 H 0.898(4) -0.177(5) 0.016(4) 0.055(19) Uiso 1 0 .
H26 H 0.977(4) -0.261(5) 0.055(3) 0.057(19) Uiso 1 0 .
H27 H 0.964(3) -0.257(5) 0.233(3) 0.032(15) Uiso 1 0 .
H28 H 1.061(4) -0.239(5) 0.205(3) 0.062(19) Uiso 1 0 .
H29 H 1.017(3) -0.153(5) 0.267(3) 0.036(17) Uiso 1 0 .
H30 H 0.758(3) -0.057(4) 0.212(3) 0.008(12) Uiso 1 0 .
H31 H 0.780(3) -0.171(4) 0.331(3) 0.027(14) Uiso 1 0 .
H32 H 0.864(3) -0.191(5) 0.316(3) 0.038(17) Uiso 1 0 .
H33 H 0.831(4) -0.067(6) 0.342(4) 0.07(2) Uiso 1 0 .
H34 H 0.713(5) -0.254(6) 0.194(4) 0.09(3) Uiso 1 0 .
H35 H 0.727(4) -0.206(6) 0.109(4) 0.06(3) Uiso 1 0 .
H36 H 0.797(4) -0.276(6) 0.179(4) 0.06(2) Uiso 1 0 .
H37 H 0.800(3) -0.055(4) 0.040(3) 0.027(14) Uiso 1 0 .
H38 H 0.916(3) 0.026(5) 0.004(3) 0.036(17) Uiso 1 0 .
H39 H 0.845(3) 0.078(4) -0.045(3) 0.036(16) Uiso 1 0 .
H40 H 0.891(3) 0.139(5) 0.035(3) 0.036(16) Uiso 1 0 .
H41 H 0.755(4) 0.156(5) 0.094(4) 0.043(19) Uiso 1 0 .
H42 H 0.712(4) 0.111(6) 0.012(4) 0.07(2) Uiso 1 0 .
H43 H 0.708(4) 0.046(5) 0.097(4) 0.04(2) Uiso 1 0 .
H44 H 1.1276 0.0629 0.4964 0.0355 Uiso 0.5 0 .
H45 H 1.0882 -0.0627 0.4913 0.0355 Uiso 0.5 0 .
H46 H 1.2407 -0.0397 0.4586 0.0457 Uiso 0.5 0 .
H47 H 1.1821 -0.1349 0.4101 0.0457 Uiso 0.5 0 .
H48 H 1.2193 0.0877 0.3504 0.0611 Uiso 0.5 0 .
H49 H 1.2012 -0.0275 0.2985 0.0611 Uiso 0.5 0 .
H50 H 1.130(3) 0.040(5) 0.165(3) 0.041(16) Uiso 1 0 .
H51 H 1.078(3) 0.148(5) 0.129(3) 0.040(16) Uiso 1 0 .
H52 H 1.147(3) 0.170(4) 0.198(3) 0.013(12) Uiso 1 0 .
H44A H 1.0928 -0.0456 0.4975 0.0492 Uiso 0.5 0 .
H45A H 1.0994 -0.1324 0.4253 0.0492 Uiso 0.5 0 .
H46A H 1.2059 0.0766 0.464 0.0473 Uiso 0.5 0 .
H47A H 1.2408 -0.05 0.4554 0.0473 Uiso 0.5 0 .
H48A H 1.2199 0.0804 0.3269 0.0611 Uiso 0.5 0 .
H49A H 1.1956 -0.0521 0.3144 0.0611 Uiso 0.5 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'
O O 0.008 0.006 'International Tables Vol. IV (1974) Table 2.2B'
N N 0.004 0.003 '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
P3 RU1 P13 158.67(5) . . . no
P3 RU1 O23 99.96(10) . . . no
P3 RU1 C29 92.84(14) . . . no
P3 RU1 H1 78.3(16) . . . no
P13 RU1 O23 100.57(10) . . . no
P13 RU1 C29 96.51(14) . . . no
P13 RU1 H1 82.1(16) . . . no
O23 RU1 C29 79.45(17) . . . no
O23 RU1 H1 171.9(16) . . . no
C29 RU1 H1 92.7(16) . . . no
RU1 P3 C4 116.40(19) . . . no
RU1 P3 C7 114.40(17) . . . no
RU1 P3 C10 112.53(18) . . . no
C4 P3 C7 108.3(2) . . . no
C4 P3 C10 101.7(3) . . . no
C7 P3 C10 101.9(3) . . . no
RU1 P13 C14 113.92(18) . . . no
RU1 P13 C17 115.80(19) . . . no
RU1 P13 C20 113.7(2) . . . no
C14 P13 C17 108.0(3) . . . no
C14 P13 C20 101.5(3) . . . no
C17 P13 C20 102.4(3) . . . no
RU1 O23 C24 106.2(3) . . . no
C24 N28 C27 112.2(4) . . . no
C24 N28 C29 118.0(4) . . . no
C27 N28 C29 129.8(4) . . . no
P3 C4 C5 111.6(4) . . . no
P3 C4 C6 118.5(4) . . . no
P3 C4 H2 100(3) . . . no
C5 C4 C6 110.0(6) . . . no
C5 C4 H2 111(3) . . . no
C6 C4 H2 106(3) . . . no
C4 C5 H3 122(3) . . . no
C4 C5 H4 110(3) . . . no
C4 C5 H5 112(3) . . . no
H3 C5 H4 99(4) . . . no
H3 C5 H5 106(4) . . . no
H4 C5 H5 107(4) . . . no
C4 C6 H6 107(4) . . . no
C4 C6 H7 113(4) . . . no
C4 C6 H8 109(3) . . . no
H6 C6 H7 105(5) . . . no
H6 C6 H8 107(5) . . . no
H7 C6 H8 116(5) . . . no
P3 C7 C8 112.6(4) . . . no
P3 C7 C9 117.6(4) . . . no
P3 C7 H9 100(3) . . . no
C8 C7 C9 112.4(5) . . . no
C8 C7 H9 106(3) . . . no
C9 C7 H9 107(3) . . . no
C7 C8 H10 111(3) . . . no
C7 C8 H11 113(3) . . . no
C7 C8 H12 108(4) . . . no
H10 C8 H11 108(4) . . . no
H10 C8 H12 111(5) . . . no
H11 C8 H12 105(5) . . . no
C7 C9 H13 106(3) . . . no
C7 C9 H14 111(4) . . . no
C7 C9 H15 111(3) . . . no
H13 C9 H14 110(5) . . . no
H13 C9 H15 104(4) . . . no
H14 C9 H15 113(5) . . . no
P3 C10 C11 111.8(4) . . . no
P3 C10 C12 113.1(4) . . . no
P3 C10 H16 109(3) . . . no
C11 C10 C12 110.3(5) . . . no
C11 C10 H16 109(3) . . . no
C12 C10 H16 103(3) . . . no
C10 C11 H17 114(3) . . . no
C10 C11 H18 109(3) . . . no
C10 C11 H19 107(3) . . . no
H17 C11 H18 110(4) . . . no
H17 C11 H19 111(4) . . . no
H18 C11 H19 105(4) . . . no
C10 C12 H20 111(4) . . . no
C10 C12 H21 114(3) . . . no
C10 C12 H22 110(3) . . . no
H20 C12 H21 108(5) . . . no
H20 C12 H22 99(5) . . . no
H21 C12 H22 113(4) . . . no
P13 C14 C15 119.0(4) . . . no
P13 C14 C16 112.0(4) . . . no
P13 C14 H23 104(3) . . . no
C15 C14 C16 110.7(5) . . . no
C15 C14 H23 101(3) . . . no
C16 C14 H23 109(3) . . . no
C14 C15 H24 106(4) . . . no
C14 C15 H25 113(3) . . . no
C14 C15 H26 115(4) . . . no
H24 C15 H25 109(5) . . . no
H24 C15 H26 109(5) . . . no
H25 C15 H26 105(4) . . . no
C14 C16 H27 105(3) . . . no
C14 C16 H28 108(3) . . . no
C14 C16 H29 116(4) . . . no
H27 C16 H28 111(4) . . . no
H27 C16 H29 107(4) . . . no
H28 C16 H29 111(4) . . . no
P13 C17 C18 112.3(4) . . . no
P13 C17 C19 116.5(5) . . . no
P13 C17 H30 99(3) . . . no
C18 C17 C19 112.9(7) . . . no
C18 C17 H30 107(3) . . . no
C19 C17 H30 108(3) . . . no
C17 C18 H31 110(3) . . . no
C17 C18 H32 112(4) . . . no
C17 C18 H33 115(4) . . . no
H31 C18 H32 102(4) . . . no
H31 C18 H33 95(4) . . . no
H32 C18 H33 121(5) . . . no
C17 C19 H34 110(4) . . . no
C17 C19 H35 116(4) . . . no
C17 C19 H36 106(4) . . . no
H34 C19 H35 99(5) . . . no
H34 C19 H36 101(6) . . . no
H35 C19 H36 123(6) . . . no
P13 C20 C21 113.0(4) . . . no
P13 C20 C22 112.3(5) . . . no
P13 C20 H37 107(3) . . . no
C21 C20 C22 109.8(6) . . . no
C21 C20 H37 107(3) . . . no
C22 C20 H37 108(3) . . . no
C20 C21 H38 113(4) . . . no
C20 C21 H39 113(3) . . . no
C20 C21 H40 106(3) . . . no
H38 C21 H39 102(5) . . . no
H38 C21 H40 109(5) . . . no
H39 C21 H40 114(5) . . . no
C20 C22 H41 112(4) . . . no
C20 C22 H42 112(4) . . . no
C20 C22 H43 105(4) . . . no
H41 C22 H42 107(5) . . . no
H41 C22 H43 110(6) . . . no
H42 C22 H43 112(5) . . . no
O23 C24 N28 121.5(5) . . . no
O23 C24 C25 126.3(6) . . . no
O23 C24 C25A 128.6(6) . . . no
N28 C24 C25 111.2(5) . . . no
N28 C24 C25A 107.9(6) . . . no
C25 C24 C25A 23.8(5) . . . no
C24 C25 C26 99.8(7) . . . no
C24 C25 C25A 78.3(17) . . . no
C24 C25 C26A 102.7(8) . . . no
C24 C25 H44 111.6(9) . . . no
C24 C25 H45 111.7(9) . . . no
C24 C25 H44A 118.7(10) . . . no
C26 C25 C25A 65.8(17) . . . no
C26 C25 C26A 25.0(5) . . . no
C26 C25 H44 111.8(10) . . . no
C26 C25 H45 112.1(10) . . . no
C26 C25 H44A 119.0(11) . . . no
C25A C25 C26A 90.5(18) . . . no
C25A C25 H44 170(2) . . . no
C25A C25 H45 64.4(16) . . . no
C25A C25 H44A 77.3(18) . . . no
C26A C25 H44 88.1(9) . . . no
C26A C25 H45 130.6(11) . . . no
C26A C25 H44A 132.6(11) . . . no
H44 C25 H45 109.6(10) . . . no
H44 C25 H44A 96.4(10) . . . no
H45 C25 H44A 13.11(17) . . . no
C25 C26 C27 103.8(8) . . . no
C25 C26 C25A 23.2(6) . . . no
C25 C26 C26A 69.4(16) . . . no
C25 C26 H46 111.3(10) . . . no
C25 C26 H47 110.6(10) . . . no
C25 C26 H47A 117.0(11) . . . no
C27 C26 C25A 107.3(9) . . . no
C27 C26 C26A 76.8(16) . . . no
C27 C26 H46 111.0(10) . . . no
C27 C26 H47 110.1(10) . . . no
C27 C26 H47A 113.0(10) . . . no
C25A C26 C26A 92.4(17) . . . no
C25A C26 H46 127.7(11) . . . no
C25A C26 H47 88.2(10) . . . no
C25A C26 H47A 131.1(12) . . . no
C26A C26 H46 64.1(15) . . . no
C26A C26 H47 173(2) . . . no
C26A C26 H47A 71.6(16) . . . no
H46 C26 H47 109.9(11) . . . no
H46 C26 H47A 7.66(10) . . . no
H47 C26 H47A 102.5(11) . . . no
N28 C27 C26 103.8(6) . . . no
N28 C27 C26A 102.6(6) . . . no
N28 C27 H48 110.8(5) . . . no
N28 C27 H49 111.0(5) . . . no
N28 C27 H48A 111.2(5) . . . no
N28 C27 H49A 111.3(5) . . . no
C26 C27 C26A 25.2(5) . . . no
C26 C27 H48 110.5(7) . . . no
C26 C27 H49 111.2(7) . . . no
C26 C27 H48A 130.5(7) . . . no
C26 C27 H49A 88.0(6) . . . no
C26A C27 H48 88.0(6) . . . no
C26A C27 H49 132.3(7) . . . no
C26A C27 H48A 110.8(7) . . . no
C26A C27 H49A 111.4(7) . . . no
H48 C27 H49 109.4(5) . . . no
H48 C27 H48A 23.95(16) . . . no
H48 C27 H49A 127.5(6) . . . no
H49 C27 H48A 87.9(5) . . . no
H49 C27 H49A 24.43(17) . . . no
H48A C27 H49A 109.5(6) . . . no
RU1 C29 N28 114.7(3) . . . no
RU1 C29 C30 133.8(4) . . . no
N28 C29 C30 111.5(4) . . . no
C29 C30 H50 114(3) . . . no
C29 C30 H51 115(3) . . . no
C29 C30 H52 110(3) . . . no
H50 C30 H51 104(4) . . . no
H50 C30 H52 110(4) . . . no
H51 C30 H52 105(4) . . . no
C24 C25A C25 78.0(17) . . . no
C24 C25A C26 106.3(9) . . . no
C24 C25A C26A 96.8(8) . . . no
C24 C25A H45 116.1(11) . . . no
C24 C25A H44A 112.3(11) . . . no
C24 C25A H45A 112.1(10) . . . no
C25 C25A C26 91.0(18) . . . no
C25 C25A C26A 66.8(17) . . . no
C25 C25A H45 75.7(18) . . . no
C25 C25A H44A 62.3(16) . . . no
C25 C25A H45A 170(2) . . . no
C26 C25A C26A 24.4(6) . . . no
C26 C25A H45 131.0(12) . . . no
C26 C25A H44A 125.4(12) . . . no
C26 C25A H45A 88.3(10) . . . no
C26A C25A H45 122.8(12) . . . no
C26A C25A H44A 112.3(11) . . . no
C26A C25A H45A 112.8(11) . . . no
H45 C25A H44A 13.60(19) . . . no
H45 C25A H45A 97.0(12) . . . no
H44A C25A H45A 110.1(12) . . . no
C25 C26A C26 85.6(17) . . . no
C25 C26A C27 109.0(8) . . . no
C25 C26A C25A 22.7(5) . . . no
C25 C26A H46 124.2(12) . . . no
C25 C26A H46A 89.3(10) . . . no
C25 C26A H47A 123.1(11) . . . no
C26 C26A C27 78.0(16) . . . no
C26 C26A C25A 63.1(16) . . . no
C26 C26A H46 72.8(16) . . . no
C26 C26A H46A 170(2) . . . no
C26 C26A H47A 65.8(15) . . . no
C27 C26A C25A 99.4(8) . . . no
C27 C26A H46 115.3(10) . . . no
C27 C26A H46A 111.6(10) . . . no
C27 C26A H47A 111.2(10) . . . no
C25A C26A H46 115.3(11) . . . no
C25A C26A H46A 112.0(11) . . . no
C25A C26A H47A 111.5(11) . . . no
H46 C26A H46A 103.6(11) . . . no
H46 C26A H47A 7.11(11) . . . no
H46A C26A H47A 110.7(12) . . . no
C25 H45 C25A 39.9(9) . . . no
C25 H45 H44A 59.7(7) . . . no
C25A H45 H44A 99.2(8) . . . no
C26 H46 C26A 43.2(9) . . . no
C26 H46 H47A 71.3(7) . . . no
C26A H46 H47A 113.7(8) . . . no
C27 H48 H48A 77.9(4) . . . no
C27 H49 H49A 77.7(4) . . . no
C25 H44A C25A 40.4(9) . . . no
C25 H44A H45 107.2(7) . . . no
C25A H44A H45 67.2(8) . . . no
C26 H47A C26A 42.6(8) . . . no
C26 H47A H46 101.1(8) . . . no
C26A H47A H46 59.2(7) . . . no
C27 H48A H48 78.1(4) . . . no
C27 H49A H49 77.8(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 P3 2.3658(15) . . no
RU1 P13 2.3664(15) . . no
RU1 O23 2.273(3) . . no
RU1 C29 1.880(5) . . no
RU1 H1 1.25(4) . . no
P3 C4 1.866(5) . . no
P3 C7 1.848(5) . . no
P3 C10 1.861(5) . . no
P13 C14 1.877(5) . . no
P13 C17 1.874(6) . . no
P13 C20 1.866(6) . . no
O23 C24 1.245(6) . . no
N28 C24 1.350(6) . . no
N28 C27 1.476(6) . . no
N28 C29 1.413(6) . . no
C4 C5 1.523(9) . . no
C4 C6 1.529(8) . . no
C4 H2 0.90(5) . . no
C5 H3 0.94(4) . . no
C5 H4 1.00(6) . . no
C5 H5 0.96(5) . . no
C6 H6 0.92(6) . . no
C6 H7 0.99(6) . . no
C6 H8 0.92(5) . . no
C7 C8 1.528(8) . . no
C7 C9 1.528(8) . . no
C7 H9 0.83(4) . . no
C8 H10 0.97(5) . . no
C8 H11 1.07(6) . . no
C8 H12 0.97(6) . . no
C9 H13 0.94(5) . . no
C9 H14 0.90(6) . . no
C9 H15 0.99(5) . . no
C10 C11 1.524(8) . . no
C10 C12 1.517(8) . . no
C10 H16 0.97(4) . . no
C11 H17 1.03(5) . . no
C11 H18 0.98(5) . . no
C11 H19 1.04(5) . . no
C12 H20 0.97(6) . . no
C12 H21 1.00(6) . . no
C12 H22 0.98(5) . . no
C14 C15 1.525(8) . . no
C14 C16 1.522(9) . . no
C14 H23 0.81(4) . . no
C15 H24 0.92(7) . . no
C15 H25 1.11(6) . . no
C15 H26 0.93(6) . . no
C16 H27 0.97(5) . . no
C16 H28 1.11(6) . . no
C16 H29 0.89(5) . . no
C17 C18 1.504(10) . . no
C17 C19 1.528(9) . . no
C17 H30 0.88(4) . . no
C18 H31 0.98(5) . . no
C18 H32 0.88(5) . . no
C18 H33 0.95(6) . . no
C19 H34 1.01(7) . . no
C19 H35 1.02(6) . . no
C19 H36 0.87(6) . . no
C20 C21 1.496(9) . . no
C20 C22 1.533(9) . . no
C20 H37 0.88(5) . . no
C21 H38 0.87(5) . . no
C21 H39 0.93(5) . . no
C21 H40 0.92(5) . . no
C22 H41 0.86(6) . . no
C22 H42 0.98(6) . . no
C22 H43 0.92(6) . . no
C24 C25 1.525(11) . . no
C24 C25A 1.527(13) . . no
C25 C26 1.592(15) . . no
C25 C25A 0.628(14) . . no
C25 C26A 1.495(15) . . no
C25 H44 0.950(11) . . no
C25 H45 0.949(10) . . no
C25 H44A 0.858(10) . . no
C26 C27 1.546(12) . . no
C26 C25A 1.453(16) . . no
C26 C26A 0.674(14) . . no
C26 H46 0.941(11) . . no
C26 H47 0.954(12) . . no
C26 H47A 0.908(11) . . no
C27 C26A 1.538(13) . . no
C27 H48 0.952(6) . . no
C27 H49 0.948(7) . . no
C27 H48A 0.952(6) . . no
C27 H49A 0.948(7) . . no
C29 C30 1.500(7) . . no
C30 H50 1.01(5) . . no
C30 H51 0.94(5) . . no
C30 H52 0.90(4) . . no
C25A C26A 1.627(16) . . no
C25A H45 0.883(12) . . no
C25A H44A 0.945(12) . . no
C25A H45A 0.947(13) . . no
C26A H46 0.886(12) . . no
C26A H46A 0.941(12) . . no
C26A H47A 0.945(12) . . no
H45 H44A 0.22523(7) . . no
H46 H47A 0.12776(4) . . no
H48 H48A 0.39514(13) . . no
H49 H49A 0.40103(10) . . no
