#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:47:12 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180155 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/51/7105175.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_7105175
loop_
_publ_author_name
'Stepowska, Elzbieta'
'Jiang, Huiling'
'Song, Datong'
_publ_section_title
;
 Reversible H(2) splitting between Ru(II) and a remote carbanion in a
 zwitterionic compound.
;
_journal_issue                   4
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              556
_journal_page_last               558
_journal_paper_doi               10.1039/b919606d
_journal_volume                  46
_journal_year                    2010
_chemical_formula_sum            'C47 H40 N2 P2 Ru'
_chemical_formula_weight         795.82
_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                 105.9974(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.8338(4)
_cell_length_b                   17.7363(6)
_cell_length_c                   15.9357(3)
_cell_measurement_reflns_used    25385
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      27.53
_cell_measurement_theta_min      3.06
_cell_volume                     3758.57(18)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0438
_diffrn_reflns_av_sigmaI/netI    0.0552
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -17
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            25385
_diffrn_reflns_theta_full        27.53
_diffrn_reflns_theta_max         27.53
_diffrn_reflns_theta_min         3.06
_exptl_absorpt_coefficient_mu    0.539
_exptl_absorpt_correction_T_max  0.922
_exptl_absorpt_correction_T_min  0.824
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
multi-scan from symmetry-related measurements
Sortav (Blessing 1995)
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.406
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1640
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.16
_refine_diff_density_max         1.046
_refine_diff_density_min         -0.683
_refine_diff_density_rms         0.082
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     477
_refine_ls_number_reflns         8519
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.035
_refine_ls_R_factor_all          0.0684
_refine_ls_R_factor_gt           0.0396
_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)+(0.0300P)²+3.6170P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0793
_refine_ls_wR_factor_ref         0.0920
_reflns_number_gt                6283
_reflns_number_total             8519
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b919606d.txt
_cod_data_source_block           3
_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_database_code               7105175
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 0.847265(15) 0.215306(12) 0.850831(13) 0.02240(7) Uani 1 1 d . . .
P1 P 0.74777(5) 0.23004(4) 0.94366(4) 0.02340(15) Uani 1 1 d . . .
P2 P 0.97022(5) 0.23541(4) 0.78500(4) 0.02359(15) Uani 1 1 d . . .
N1 N 0.71661(16) 0.19579(13) 0.73791(13) 0.0263(5) Uani 1 1 d . . .
N2 N 0.84044(16) 0.09040(13) 0.85215(14) 0.0276(5) Uani 1 1 d . . .
C1 C 0.6491(2) 0.23719(19) 0.67768(19) 0.0373(7) Uani 1 1 d . . .
H1A H 0.6579 0.2903 0.6772 0.045 Uiso 1 1 calc R . .
C2 C 0.5677(2) 0.2055(2) 0.61664(19) 0.0439(8) Uani 1 1 d . . .
H2A H 0.5240 0.2372 0.5749 0.053 Uiso 1 1 calc R . .
C3 C 0.5485(2) 0.1287(2) 0.61493(19) 0.0434(8) Uani 1 1 d . . .
H3A H 0.4915 0.1074 0.5743 0.052 Uiso 1 1 calc R . .
C4 C 0.6160(2) 0.08464(18) 0.67480(18) 0.0357(7) Uani 1 1 d . . .
C5 C 0.6234(2) 0.00168(19) 0.6974(2) 0.0448(8) Uani 1 1 d . . .
H5A H 0.6295 -0.0291 0.6474 0.054 Uiso 1 1 calc R . .
H5B H 0.5639 -0.0154 0.7154 0.054 Uiso 1 1 calc R . .
C6 C 0.7180(2) -0.00320(17) 0.7727(2) 0.0380(7) Uani 1 1 d . . .
C7 C 0.7674(3) -0.06072(19) 0.8249(2) 0.0502(9) Uani 1 1 d . . .
H7A H 0.7428 -0.1110 0.8179 0.060 Uiso 1 1 calc R . .
C8 C 0.8551(3) -0.04177(19) 0.8885(2) 0.0465(8) Uani 1 1 d . . .
H8A H 0.8925 -0.0802 0.9248 0.056 Uiso 1 1 calc R . .
C9 C 0.8892(2) 0.03207(17) 0.89998(19) 0.0365(7) Uani 1 1 d . . .
H9A H 0.9500 0.0421 0.9438 0.044 Uiso 1 1 calc R . .
C10 C 0.7577(2) 0.06865(16) 0.78994(17) 0.0286(6) Uani 1 1 d . . .
C11 C 0.6964(2) 0.12189(16) 0.73207(17) 0.0283(6) Uani 1 1 d . . .
C12 C 0.6723(2) 0.31644(16) 0.93790(17) 0.0307(6) Uani 1 1 d . . .
C13 C 0.6972(3) 0.38057(19) 0.8991(3) 0.0593(11) Uani 1 1 d . . .
H13A H 0.7538 0.3796 0.8763 0.071 Uiso 1 1 calc R . .
C14 C 0.6412(4) 0.4465(2) 0.8928(3) 0.0835(16) Uani 1 1 d . . .
H14A H 0.6600 0.4898 0.8659 0.100 Uiso 1 1 calc R . .
C15 C 0.5597(3) 0.4493(2) 0.9247(2) 0.0618(11) Uani 1 1 d . . .
H15A H 0.5218 0.4945 0.9208 0.074 Uiso 1 1 calc R . .
C16 C 0.5325(2) 0.38593(18) 0.9630(2) 0.0419(8) Uani 1 1 d . . .
H16A H 0.4754 0.3874 0.9851 0.050 Uiso 1 1 calc R . .
C17 C 0.5879(2) 0.32025(17) 0.96958(17) 0.0314(6) Uani 1 1 d . . .
H17A H 0.5681 0.2771 0.9960 0.038 Uiso 1 1 calc R . .
C18 C 0.64842(19) 0.15742(15) 0.92747(17) 0.0251(6) Uani 1 1 d . . .
C19 C 0.6614(2) 0.09121(18) 0.9754(2) 0.0440(8) Uani 1 1 d . . .
H19A H 0.7177 0.0860 1.0250 0.053 Uiso 1 1 calc R . .
C20 C 0.5935(3) 0.0326(2) 0.9521(3) 0.0653(12) Uani 1 1 d . . .
H20A H 0.6039 -0.0123 0.9859 0.078 Uiso 1 1 calc R . .
C21 C 0.5113(2) 0.0384(2) 0.8809(3) 0.0559(10) Uani 1 1 d . . .
H21A H 0.4651 -0.0022 0.8650 0.067 Uiso 1 1 calc R . .
C22 C 0.4966(2) 0.10362(19) 0.8330(2) 0.0420(8) Uani 1 1 d . . .
H22A H 0.4395 0.1084 0.7838 0.050 Uiso 1 1 calc R . .
C23 C 0.5644(2) 0.16277(17) 0.85557(17) 0.0317(6) Uani 1 1 d . . .
H23A H 0.5533 0.2075 0.8216 0.038 Uiso 1 1 calc R . .
C24 C 0.8082(2) 0.21956(18) 1.06197(17) 0.0332(7) Uani 1 1 d . . .
C25 C 0.7871(2) 0.2650(2) 1.12558(19) 0.0433(8) Uani 1 1 d . . .
H25A H 0.7413 0.3058 1.1092 0.052 Uiso 1 1 calc R . .
C26 C 0.8336(3) 0.2506(3) 1.2138(2) 0.0593(11) Uani 1 1 d . . .
H26A H 0.8199 0.2823 1.2572 0.071 Uiso 1 1 calc R . .
C27 C 0.8989(3) 0.1911(3) 1.2382(2) 0.0655(13) Uani 1 1 d . . .
H27A H 0.9287 0.1810 1.2984 0.079 Uiso 1 1 calc R . .
C28 C 0.9213(2) 0.1462(2) 1.1761(2) 0.0569(11) Uani 1 1 d . . .
H28A H 0.9669 0.1053 1.1931 0.068 Uiso 1 1 calc R . .
C29 C 0.8771(2) 0.1606(2) 1.08781(19) 0.0412(8) Uani 1 1 d . . .
H29A H 0.8940 0.1302 1.0449 0.049 Uiso 1 1 calc R . .
C30 C 0.9269(2) 0.25088(17) 0.66626(17) 0.0306(6) Uani 1 1 d . . .
C31 C 0.8659(2) 0.1947(2) 0.6183(2) 0.0478(9) Uani 1 1 d . . .
H31A H 0.8534 0.1504 0.6472 0.057 Uiso 1 1 calc R . .
C32 C 0.8230(3) 0.2021(3) 0.5290(2) 0.0625(12) Uani 1 1 d . . .
H32A H 0.7803 0.1636 0.4976 0.075 Uiso 1 1 calc R . .
C33 C 0.8422(3) 0.2648(3) 0.4861(2) 0.0650(12) Uani 1 1 d . . .
H33A H 0.8134 0.2697 0.4249 0.078 Uiso 1 1 calc R . .
C34 C 0.9032(4) 0.3204(2) 0.5319(2) 0.0687(13) Uani 1 1 d . . .
H34A H 0.9179 0.3634 0.5020 0.082 Uiso 1 1 calc R . .
C35 C 0.9440(3) 0.3144(2) 0.6218(2) 0.0495(9) Uani 1 1 d . . .
H35A H 0.9839 0.3543 0.6531 0.059 Uiso 1 1 calc R . .
C36 C 1.06444(19) 0.16014(15) 0.79315(17) 0.0264(6) Uani 1 1 d . . .
C37 C 1.0953(3) 0.13210(19) 0.7240(2) 0.0460(8) Uani 1 1 d . . .
H37A H 1.0676 0.1521 0.6671 0.055 Uiso 1 1 calc R . .
C38 C 1.1669(3) 0.0746(2) 0.7368(2) 0.0593(10) Uani 1 1 d . . .
H38A H 1.1876 0.0561 0.6886 0.071 Uiso 1 1 calc R . .
C39 C 1.2074(2) 0.04465(18) 0.8180(2) 0.0447(8) Uani 1 1 d . . .
H39A H 1.2550 0.0048 0.8260 0.054 Uiso 1 1 calc R . .
C40 C 1.1787(2) 0.07259(19) 0.8876(2) 0.0458(8) Uani 1 1 d . . .
H40A H 1.2075 0.0528 0.9444 0.055 Uiso 1 1 calc R . .
C41 C 1.1076(2) 0.12970(18) 0.87528(19) 0.0383(7) Uani 1 1 d . . .
H41A H 1.0881 0.1484 0.9240 0.046 Uiso 1 1 calc R . .
C42 C 1.0561(2) 0.31591(16) 0.82333(17) 0.0271(6) Uani 1 1 d . . .
C43 C 1.1358(2) 0.33139(18) 0.7879(2) 0.0393(7) Uani 1 1 d . . .
H43A H 1.1480 0.2990 0.7444 0.047 Uiso 1 1 calc R . .
C44 C 1.1973(3) 0.39348(19) 0.8154(2) 0.0479(8) Uani 1 1 d . . .
H44A H 1.2501 0.4039 0.7896 0.057 Uiso 1 1 calc R . .
C45 C 1.1825(2) 0.44027(18) 0.8797(2) 0.0446(8) Uani 1 1 d . . .
H45A H 1.2239 0.4833 0.8977 0.053 Uiso 1 1 calc R . .
C46 C 1.1070(2) 0.42382(17) 0.9175(2) 0.0368(7) Uani 1 1 d . . .
H46A H 1.0978 0.4548 0.9633 0.044 Uiso 1 1 calc R . .
C47 C 1.0441(2) 0.36250(16) 0.88969(18) 0.0303(6) Uani 1 1 d . . .
H47A H 0.9921 0.3523 0.9164 0.036 Uiso 1 1 calc R . .
H2 H 0.941(2) 0.2188(17) 0.932(2) 0.049(9) Uiso 1 1 d . . .
H1 H 0.846(2) 0.3084(18) 0.8438(18) 0.043(9) Uiso 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'
N N 0.0061 0.0033 '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
N1 Ru1 N2 79.80(8) . . ?
N1 Ru1 P2 101.49(6) . . ?
N2 Ru1 P2 101.62(6) . . ?
N1 Ru1 P1 92.39(6) . . ?
N2 Ru1 P1 94.19(6) . . ?
P2 Ru1 P1 160.52(3) . . ?
N1 Ru1 H2 173.2(11) . . ?
N2 Ru1 H2 93.4(11) . . ?
P2 Ru1 H2 79.9(12) . . ?
P1 Ru1 H2 88.0(11) . . ?
N1 Ru1 H1 96.3(10) . . ?
N2 Ru1 H1 176.1(10) . . ?
P2 Ru1 H1 78.9(10) . . ?
P1 Ru1 H1 86.1(10) . . ?
H2 Ru1 H1 90.5(15) . . ?
C12 P1 C24 103.02(13) . . ?
C12 P1 C18 100.55(13) . . ?
C24 P1 C18 100.48(12) . . ?
C12 P1 Ru1 119.65(9) . . ?
C24 P1 Ru1 117.55(10) . . ?
C18 P1 Ru1 112.66(8) . . ?
C30 P2 C36 101.76(12) . . ?
C30 P2 C42 102.82(13) . . ?
C36 P2 C42 99.10(12) . . ?
C30 P2 Ru1 115.29(9) . . ?
C36 P2 Ru1 117.43(9) . . ?
C42 P2 Ru1 117.75(9) . . ?
C11 N1 C1 113.0(2) . . ?
C11 N1 Ru1 108.66(17) . . ?
C1 N1 Ru1 138.1(2) . . ?
C10 N2 C9 112.8(2) . . ?
C10 N2 Ru1 107.98(17) . . ?
C9 N2 Ru1 139.01(19) . . ?
N1 C1 C2 123.0(3) . . ?
N1 C1 H1A 118.5 . . ?
C2 C1 H1A 118.5 . . ?
C3 C2 C1 121.7(3) . . ?
C3 C2 H2A 119.1 . . ?
C1 C2 H2A 119.1 . . ?
C4 C3 C2 117.0(3) . . ?
C4 C3 H3A 121.5 . . ?
C2 C3 H3A 121.5 . . ?
C3 C4 C11 116.7(3) . . ?
C3 C4 C5 134.8(3) . . ?
C11 C4 C5 108.4(3) . . ?
C4 C5 C6 103.4(2) . . ?
C4 C5 H5A 111.1 . . ?
C6 C5 H5A 111.1 . . ?
C4 C5 H5B 111.1 . . ?
C6 C5 H5B 111.1 . . ?
H5A C5 H5B 109.0 . . ?
C7 C6 C10 117.4(3) . . ?
C7 C6 C5 134.3(3) . . ?
C10 C6 C5 108.2(3) . . ?
C6 C7 C8 116.7(3) . . ?
C6 C7 H7A 121.6 . . ?
C8 C7 H7A 121.6 . . ?
C9 C8 C7 121.4(3) . . ?
C9 C8 H8A 119.3 . . ?
C7 C8 H8A 119.3 . . ?
N2 C9 C8 123.4(3) . . ?
N2 C9 H9A 118.3 . . ?
C8 C9 H9A 118.3 . . ?
N2 C10 C6 128.2(3) . . ?
N2 C10 C11 121.3(3) . . ?
C6 C10 C11 110.5(2) . . ?
N1 C11 C4 128.5(3) . . ?
N1 C11 C10 121.9(2) . . ?
C4 C11 C10 109.5(3) . . ?
C13 C12 C17 117.3(3) . . ?
C13 C12 P1 119.9(2) . . ?
C17 C12 P1 122.8(2) . . ?
C12 C13 C14 121.4(3) . . ?
C12 C13 H13A 119.3 . . ?
C14 C13 H13A 119.3 . . ?
C15 C14 C13 120.4(4) . . ?
C15 C14 H14A 119.8 . . ?
C13 C14 H14A 119.8 . . ?
C14 C15 C16 119.4(3) . . ?
C14 C15 H15A 120.3 . . ?
C16 C15 H15A 120.3 . . ?
C15 C16 C17 120.5(3) . . ?
C15 C16 H16A 119.8 . . ?
C17 C16 H16A 119.8 . . ?
C16 C17 C12 121.0(3) . . ?
C16 C17 H17A 119.5 . . ?
C12 C17 H17A 119.5 . . ?
C19 C18 C23 117.6(3) . . ?
C19 C18 P1 122.4(2) . . ?
C23 C18 P1 119.2(2) . . ?
C20 C19 C18 121.0(3) . . ?
C20 C19 H19A 119.5 . . ?
C18 C19 H19A 119.5 . . ?
C21 C20 C19 120.9(3) . . ?
C21 C20 H20A 119.6 . . ?
C19 C20 H20A 119.6 . . ?
C22 C21 C20 119.1(3) . . ?
C22 C21 H21A 120.4 . . ?
C20 C21 H21A 120.4 . . ?
C21 C22 C23 120.5(3) . . ?
C21 C22 H22A 119.7 . . ?
C23 C22 H22A 119.7 . . ?
C22 C23 C18 120.9(3) . . ?
C22 C23 H23A 119.5 . . ?
C18 C23 H23A 119.5 . . ?
C25 C24 C29 118.8(3) . . ?
C25 C24 P1 124.0(2) . . ?
C29 C24 P1 117.1(2) . . ?
C24 C25 C26 119.9(4) . . ?
C24 C25 H25A 120.1 . . ?
C26 C25 H25A 120.1 . . ?
C27 C26 C25 120.5(4) . . ?
C27 C26 H26A 119.7 . . ?
C25 C26 H26A 119.7 . . ?
C28 C27 C26 120.2(3) . . ?
C28 C27 H27A 119.9 . . ?
C26 C27 H27A 119.9 . . ?
C27 C28 C29 119.9(4) . . ?
C27 C28 H28A 120.1 . . ?
C29 C28 H28A 120.1 . . ?
C28 C29 C24 120.6(3) . . ?
C28 C29 H29A 119.7 . . ?
C24 C29 H29A 119.7 . . ?
C35 C30 C31 117.7(3) . . ?
C35 C30 P2 126.4(2) . . ?
C31 C30 P2 115.7(2) . . ?
C32 C31 C30 121.2(4) . . ?
C32 C31 H31A 119.4 . . ?
C30 C31 H31A 119.4 . . ?
C33 C32 C31 120.1(4) . . ?
C33 C32 H32A 120.0 . . ?
C31 C32 H32A 120.0 . . ?
C32 C33 C34 119.7(3) . . ?
C32 C33 H33A 120.2 . . ?
C34 C33 H33A 120.2 . . ?
C33 C34 C35 120.6(4) . . ?
C33 C34 H34A 119.7 . . ?
C35 C34 H34A 119.7 . . ?
C30 C35 C34 120.7(4) . . ?
C30 C35 H35A 119.7 . . ?
C34 C35 H35A 119.7 . . ?
C37 C36 C41 117.7(3) . . ?
C37 C36 P2 124.9(2) . . ?
C41 C36 P2 117.3(2) . . ?
C36 C37 C38 120.6(3) . . ?
C36 C37 H37A 119.7 . . ?
C38 C37 H37A 119.7 . . ?
C39 C38 C37 120.8(3) . . ?
C39 C38 H38A 119.6 . . ?
C37 C38 H38A 119.6 . . ?
C38 C39 C40 119.4(3) . . ?
C38 C39 H39A 120.3 . . ?
C40 C39 H39A 120.3 . . ?
C39 C40 C41 120.2(3) . . ?
C39 C40 H40A 119.9 . . ?
C41 C40 H40A 119.9 . . ?
C40 C41 C36 121.4(3) . . ?
C40 C41 H41A 119.3 . . ?
C36 C41 H41A 119.3 . . ?
C47 C42 C43 117.7(3) . . ?
C47 C42 P2 120.7(2) . . ?
C43 C42 P2 121.6(2) . . ?
C44 C43 C42 120.8(3) . . ?
C44 C43 H43A 119.6 . . ?
C42 C43 H43A 119.6 . . ?
C45 C44 C43 120.7(3) . . ?
C45 C44 H44A 119.7 . . ?
C43 C44 H44A 119.7 . . ?
C46 C45 C44 119.1(3) . . ?
C46 C45 H45A 120.5 . . ?
C44 C45 H45A 120.5 . . ?
C45 C46 C47 120.8(3) . . ?
C45 C46 H46A 119.6 . . ?
C47 C46 H46A 119.6 . . ?
C46 C47 C42 121.0(3) . . ?
C46 C47 H47A 119.5 . . ?
C42 C47 H47A 119.5 . . ?
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 N1 2.198(2) . ?
Ru1 N2 2.218(2) . ?
Ru1 P2 2.2593(7) . ?
Ru1 P1 2.2964(7) . ?
Ru1 H2 1.56(3) . ?
Ru1 H1 1.66(3) . ?
P1 C12 1.842(3) . ?
P1 C24 1.849(3) . ?
P1 C18 1.849(3) . ?
P2 C30 1.841(3) . ?
P2 C36 1.845(3) . ?
P2 C42 1.850(3) . ?
N1 C11 1.338(4) . ?
N1 C1 1.356(4) . ?
N2 C10 1.348(3) . ?
N2 C9 1.350(4) . ?
C1 C2 1.388(4) . ?
C1 H1A 0.9500 . ?
C2 C3 1.387(5) . ?
C2 H2A 0.9500 . ?
C3 C4 1.378(4) . ?
C3 H3A 0.9500 . ?
C4 C11 1.396(4) . ?
C4 C5 1.512(5) . ?
C5 C6 1.515(4) . ?
C5 H5A 0.9900 . ?
C5 H5B 0.9900 . ?
C6 C7 1.373(4) . ?
C6 C10 1.385(4) . ?
C7 C8 1.391(5) . ?
C7 H7A 0.9500 . ?
C8 C9 1.387(4) . ?
C8 H8A 0.9500 . ?
C9 H9A 0.9500 . ?
C10 C11 1.424(4) . ?
C12 C13 1.383(4) . ?
C12 C17 1.396(4) . ?
C13 C14 1.391(5) . ?
C13 H13A 0.9500 . ?
C14 C15 1.360(5) . ?
C14 H14A 0.9500 . ?
C15 C16 1.380(5) . ?
C15 H15A 0.9500 . ?
C16 C17 1.382(4) . ?
C16 H16A 0.9500 . ?
C17 H17A 0.9500 . ?
C18 C19 1.385(4) . ?
C18 C23 1.393(4) . ?
C19 C20 1.381(5) . ?
C19 H19A 0.9500 . ?
C20 C21 1.372(5) . ?
C20 H20A 0.9500 . ?
C21 C22 1.370(5) . ?
C21 H21A 0.9500 . ?
C22 C23 1.387(4) . ?
C22 H22A 0.9500 . ?
C23 H23A 0.9500 . ?
C24 C25 1.387(4) . ?
C24 C29 1.398(4) . ?
C25 C26 1.399(4) . ?
C25 H25A 0.9500 . ?
C26 C27 1.375(6) . ?
C26 H26A 0.9500 . ?
C27 C28 1.371(6) . ?
C27 H27A 0.9500 . ?
C28 C29 1.394(4) . ?
C28 H28A 0.9500 . ?
C29 H29A 0.9500 . ?
C30 C35 1.386(4) . ?
C30 C31 1.390(4) . ?
C31 C32 1.389(5) . ?
C31 H31A 0.9500 . ?
C32 C33 1.370(6) . ?
C32 H32A 0.9500 . ?
C33 C34 1.370(6) . ?
C33 H33A 0.9500 . ?
C34 C35 1.393(5) . ?
C34 H34A 0.9500 . ?
C35 H35A 0.9500 . ?
C36 C37 1.380(4) . ?
C36 C41 1.389(4) . ?
C37 C38 1.396(5) . ?
C37 H37A 0.9500 . ?
C38 C39 1.367(5) . ?
C38 H38A 0.9500 . ?
C39 C40 1.370(5) . ?
C39 H39A 0.9500 . ?
C40 C41 1.387(4) . ?
C40 H40A 0.9500 . ?
C41 H41A 0.9500 . ?
C42 C47 1.388(4) . ?
C42 C43 1.398(4) . ?
C43 C44 1.387(4) . ?
C43 H43A 0.9500 . ?
C44 C45 1.377(5) . ?
C44 H44A 0.9500 . ?
C45 C46 1.373(4) . ?
C45 H45A 0.9500 . ?
C46 C47 1.387(4) . ?
C46 H46A 0.9500 . ?
C47 H47A 0.9500 . ?
