#------------------------------------------------------------------------------
#$Date: 2021-04-05 17:48:37 +0300 (Mon, 05 Apr 2021) $
#$Revision: 263757 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/65/7706533.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_7706533
loop_
_publ_author_name
'Yadav, Samanta'
'Vijayan, Paranthaman'
'Yadav, Sunil'
'Gupta, Rajeev'
_publ_section_title
;
 Ruthenium complexes of phosphine-amide based ligands as efficient
 catalysts for transfer hydrogenation reactions.
;
_journal_issue                   9
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              3269
_journal_page_last               3279
_journal_paper_doi               10.1039/d0dt04401f
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C30 H20 Cl N2 O3 P Ru'
_chemical_formula_sum            'C30 H20 Cl N2 O3 P Ru'
_chemical_formula_weight         623.97
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2020-03-31 deposited with the CCDC.	2021-01-29 downloaded from the CCDC.
;
_cell_angle_alpha                92.082(3)
_cell_angle_beta                 98.606(3)
_cell_angle_gamma                108.609(3)
_cell_formula_units_Z            2
_cell_length_a                   9.9715(4)
_cell_length_b                   11.0618(4)
_cell_length_c                   12.8149(4)
_cell_measurement_reflns_used    7759
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.0610
_cell_measurement_theta_min      3.6050
_cell_volume                     1319.19(9)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Xcalibur, Sapphire3'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0259
_diffrn_reflns_av_unetI/netI     0.0286
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            15256
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         3.498
_exptl_absorpt_coefficient_mu    0.792
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            GREEN
_exptl_crystal_density_diffrn    1.571
_exptl_crystal_description       BLOCK
_exptl_crystal_F_000             628
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.281
_refine_diff_density_min         -0.291
_refine_diff_density_rms         0.054
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.074
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     343
_refine_ls_number_reflns         4637
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.074
_refine_ls_R_factor_all          0.0265
_refine_ls_R_factor_gt           0.0237
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0218P)²+0.4731P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0539
_refine_ls_wR_factor_ref         0.0553
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4309
_reflns_number_total             4637
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d0dt04401f2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7706533--7706535.cif.'
_cod_database_code               7706533
_shelx_shelxl_version_number     2018/3
_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.
;
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
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.71587(2) 0.24301(2) 0.34599(2) 0.02364(6) Uani 1 1 d . . . . .
P1 P 0.59004(6) 0.30004(5) 0.20075(4) 0.02510(12) Uani 1 1 d . . . . .
Cl1 Cl 0.65337(6) 0.01955(5) 0.28500(5) 0.04126(15) Uani 1 1 d . . . . .
O2 O 0.8214(3) 0.51269(19) 0.44481(19) 0.0839(7) Uani 1 1 d . . . . .
C27 C 0.4306(3) 0.5594(3) 0.3210(2) 0.0537(7) Uani 1 1 d . . . . .
H27 H 0.362729 0.557919 0.363841 0.064 Uiso 1 1 calc R U . . .
O3 O 0.4513(2) 0.1687(2) 0.45026(16) 0.0696(6) Uani 1 1 d . . . . .
N1 N 0.88843(18) 0.20810(16) 0.45238(13) 0.0286(4) Uani 1 1 d . . . . .
C29 C 0.5547(2) 0.4485(2) 0.22846(17) 0.0301(5) Uani 1 1 d . . . . .
C21 C 0.1918(2) 0.0397(2) -0.02545(18) 0.0401(6) Uani 1 1 d . . . . .
H21 H 0.114321 -0.012508 -0.074178 0.048 Uiso 1 1 calc R U . . .
O1 O 1.1064(2) 0.2712(3) 0.25534(15) 0.0821(8) Uani 1 1 d . . . . .
C23 C 0.3149(2) 0.2405(2) 0.07722(19) 0.0429(6) Uani 1 1 d . . . . .
H23 H 0.318531 0.323253 0.097374 0.052 Uiso 1 1 calc R U . . .
C20 C 0.2996(3) -0.0048(2) 0.01670(19) 0.0428(6) Uani 1 1 d . . . . .
H20 H 0.294939 -0.087846 -0.003455 0.051 Uiso 1 1 calc R U . . .
C18 C 0.4245(2) 0.19607(19) 0.11930(16) 0.0274(5) Uani 1 1 d . . . . .
C8 C 1.1225(2) 0.1912(2) 0.45464(19) 0.0391(6) Uani 1 1 d . . . . .
H8 H 1.199806 0.200797 0.419402 0.047 Uiso 1 1 calc R U . . .
C22 C 0.1992(3) 0.1615(3) 0.0048(2) 0.0479(6) Uani 1 1 d . . . . .
H22 H 0.126023 0.192005 -0.023347 0.058 Uiso 1 1 calc R U . . .
C17 C 0.9496(2) 0.3276(2) 0.07774(18) 0.0371(5) Uani 1 1 d . . . . .
H17 H 1.039579 0.320341 0.099968 0.045 Uiso 1 1 calc R U . . .
N2 N 0.87835(18) 0.28102(16) 0.25403(13) 0.0276(4) Uani 1 1 d . . . . .
C6 C 1.0105(2) 0.1396(2) 0.60554(17) 0.0345(5) Uani 1 1 d . . . . .
C19 C 0.4149(2) 0.0721(2) 0.08866(18) 0.0388(6) Uani 1 1 d . . . . .
H19 H 0.487003 0.040247 0.116898 0.047 Uiso 1 1 calc R U . . .
C30 C 0.8913(2) 0.1704(2) 0.55453(16) 0.0321(5) Uani 1 1 d . . . . .
C5 C 1.0068(3) 0.0951(3) 0.70758(19) 0.0485(6) Uani 1 1 d . . . . .
H5 H 1.083772 0.072940 0.741468 0.058 Uiso 1 1 calc R U . . .
C25 C 0.6056(3) 0.6750(2) 0.2227(2) 0.0500(7) Uani 1 1 d . . . . .
H25 H 0.656291 0.751901 0.198717 0.060 Uiso 1 1 calc R U . . .
C14 C 0.6847(3) 0.3542(2) 0.00764(17) 0.0384(5) Uani 1 1 d . . . . .
H14 H 0.595881 0.363323 -0.015776 0.046 Uiso 1 1 calc R U . . .
C12 C 0.8525(2) 0.31325(19) 0.14906(16) 0.0275(5) Uani 1 1 d . . . . .
C7 C 1.1266(2) 0.1506(2) 0.55289(18) 0.0390(6) Uani 1 1 d . . . . .
H7 H 1.205563 0.130249 0.585153 0.047 Uiso 1 1 calc R U . . .
C24 C 0.6304(3) 0.5635(2) 0.19349(19) 0.0388(6) Uani 1 1 d . . . . .
H24 H 0.697982 0.565732 0.150236 0.047 Uiso 1 1 calc R U . . .
C13 C 0.7194(2) 0.32797(19) 0.11237(16) 0.0286(5) Uani 1 1 d . . . . .
C9 C 1.0015(2) 0.2187(2) 0.40611(17) 0.0305(5) Uani 1 1 d . . . . .
C16 C 0.9117(3) 0.3525(2) -0.02500(19) 0.0442(6) Uani 1 1 d . . . . .
H16 H 0.976391 0.360167 -0.071619 0.053 Uiso 1 1 calc R U . . .
C28 C 0.4540(3) 0.4473(2) 0.2923(2) 0.0428(6) Uani 1 1 d . . . . .
H28 H 0.401880 0.370624 0.315941 0.051 Uiso 1 1 calc R U . . .
C15 C 0.7807(3) 0.3664(2) -0.06059(19) 0.0456(6) Uani 1 1 d . . . . .
H15 H 0.757575 0.383926 -0.130155 0.055 Uiso 1 1 calc R U . . .
C31 C 0.7766(3) 0.1598(3) 0.60827(19) 0.0544(7) Uani 1 1 d . . . . .
H2 H 0.698821 0.182273 0.576392 0.065 Uiso 1 1 calc R U . . .
C10 C 0.9999(2) 0.2606(2) 0.29532(18) 0.0395(6) Uani 1 1 d . . . . .
C26 C 0.5070(3) 0.6730(2) 0.2867(2) 0.0512(7) Uani 1 1 d . . . . .
H26 H 0.491672 0.748495 0.306988 0.061 Uiso 1 1 calc R U . . .
C3 C 0.7770(3) 0.1170(3) 0.7072(2) 0.0657(9) Uani 1 1 d . . . . .
H3 H 0.699387 0.109697 0.741618 0.079 Uiso 1 1 calc R U . . .
C1 C 0.7797(3) 0.4131(2) 0.40605(19) 0.0422(6) Uani 1 1 d . . . . .
C4 C 0.8933(3) 0.0842(3) 0.7562(2) 0.0614(8) Uani 1 1 d . . . . .
H4 H 0.892652 0.054623 0.823226 0.074 Uiso 1 1 calc R U . . .
C2 C 0.5536(3) 0.1965(2) 0.41475(18) 0.0391(6) 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'
N N 0.0061 0.0033 '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'
Cl Cl 0.1484 0.1585 '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
C1 Ru1 C2 93.00(11) . . ?
C1 Ru1 N2 92.18(9) . . ?
C2 Ru1 N2 173.08(9) . . ?
C1 Ru1 N1 89.26(8) . . ?
C2 Ru1 N1 106.37(8) . . ?
N2 Ru1 N1 78.28(6) . . ?
C1 Ru1 P1 89.83(7) . . ?
C2 Ru1 P1 92.02(7) . . ?
N2 Ru1 P1 83.41(5) . . ?
N1 Ru1 P1 161.61(5) . . ?
C1 Ru1 Cl1 173.32(7) . . ?
C2 Ru1 Cl1 87.88(8) . . ?
N2 Ru1 Cl1 87.51(5) . . ?
N1 Ru1 Cl1 84.13(5) . . ?
P1 Ru1 Cl1 96.76(2) . . ?
C13 P1 C29 108.76(10) . . ?
C13 P1 C18 103.73(10) . . ?
C29 P1 C18 104.54(10) . . ?
C13 P1 Ru1 100.27(7) . . ?
C29 P1 Ru1 112.64(7) . . ?
C18 P1 Ru1 125.62(7) . . ?
C26 C27 C28 120.4(2) . . ?
C26 C27 H27 119.8 . . ?
C28 C27 H27 119.8 . . ?
C9 N1 C30 118.46(17) . . ?
C9 N1 Ru1 111.78(13) . . ?
C30 N1 Ru1 129.63(14) . . ?
C28 C29 C24 119.0(2) . . ?
C28 C29 P1 118.30(16) . . ?
C24 C29 P1 122.63(17) . . ?
C22 C21 C20 119.2(2) . . ?
C22 C21 H21 120.4 . . ?
C20 C21 H21 120.4 . . ?
C18 C23 C22 120.0(2) . . ?
C18 C23 H23 120.0 . . ?
C22 C23 H23 120.0 . . ?
C21 C20 C19 120.7(2) . . ?
C21 C20 H20 119.6 . . ?
C19 C20 H20 119.6 . . ?
C19 C18 C23 118.5(2) . . ?
C19 C18 P1 118.65(16) . . ?
C23 C18 P1 122.43(17) . . ?
C7 C8 C9 119.7(2) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C21 C22 C23 120.8(2) . . ?
C21 C22 H22 119.6 . . ?
C23 C22 H22 119.6 . . ?
C16 C17 C12 120.1(2) . . ?
C16 C17 H17 119.9 . . ?
C12 C17 H17 119.9 . . ?
C10 N2 C12 122.48(17) . . ?
C10 N2 Ru1 116.94(14) . . ?
C12 N2 Ru1 120.23(13) . . ?
C7 C6 C30 119.3(2) . . ?
C7 C6 C5 122.0(2) . . ?
C30 C6 C5 118.7(2) . . ?
C20 C19 C18 120.7(2) . . ?
C20 C19 H19 119.7 . . ?
C18 C19 H19 119.7 . . ?
N1 C30 C31 121.16(19) . . ?
N1 C30 C6 120.10(19) . . ?
C31 C30 C6 118.7(2) . . ?
C4 C5 C6 120.9(2) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C26 C25 C24 120.4(2) . . ?
C26 C25 H25 119.8 . . ?
C24 C25 H25 119.8 . . ?
C15 C14 C13 120.4(2) . . ?
C15 C14 H14 119.8 . . ?
C13 C14 H14 119.8 . . ?
C13 C12 C17 117.73(19) . . ?
C13 C12 N2 117.88(18) . . ?
C17 C12 N2 124.35(19) . . ?
C8 C7 C6 119.2(2) . . ?
C8 C7 H7 120.4 . . ?
C6 C7 H7 120.4 . . ?
C25 C24 C29 120.2(2) . . ?
C25 C24 H24 119.9 . . ?
C29 C24 H24 119.9 . . ?
C14 C13 C12 120.65(19) . . ?
C14 C13 P1 121.16(17) . . ?
C12 C13 P1 118.02(15) . . ?
N1 C9 C8 123.1(2) . . ?
N1 C9 C10 118.87(18) . . ?
C8 C9 C10 118.02(19) . . ?
C15 C16 C17 121.8(2) . . ?
C15 C16 H16 119.1 . . ?
C17 C16 H16 119.1 . . ?
C27 C28 C29 120.2(2) . . ?
C27 C28 H28 119.9 . . ?
C29 C28 H28 119.9 . . ?
C14 C15 C16 119.2(2) . . ?
C14 C15 H15 120.4 . . ?
C16 C15 H15 120.4 . . ?
C3 C31 C30 121.0(2) . . ?
C3 C31 H2 119.5 . . ?
C30 C31 H2 119.5 . . ?
O1 C10 N2 128.7(2) . . ?
O1 C10 C9 117.4(2) . . ?
N2 C10 C9 113.90(18) . . ?
C25 C26 C27 119.8(2) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C31 C3 C4 120.1(3) . . ?
C31 C3 H3 119.9 . . ?
C4 C3 H3 119.9 . . ?
O2 C1 Ru1 177.1(2) . . ?
C5 C4 C3 120.6(2) . . ?
C5 C4 H4 119.7 . . ?
C3 C4 H4 119.7 . . ?
O3 C2 Ru1 175.9(2) . . ?
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 C1 1.877(3) . ?
Ru1 C2 1.895(2) . ?
Ru1 N2 2.0889(16) . ?
Ru1 N1 2.1747(16) . ?
Ru1 P1 2.3083(5) . ?
Ru1 Cl1 2.4167(6) . ?
P1 C13 1.803(2) . ?
P1 C29 1.820(2) . ?
P1 C18 1.823(2) . ?
O2 C1 1.113(3) . ?
C27 C26 1.372(4) . ?
C27 C28 1.380(3) . ?
C27 H27 0.9300 . ?
O3 C2 1.136(3) . ?
N1 C9 1.326(3) . ?
N1 C30 1.387(3) . ?
C29 C28 1.385(3) . ?
C29 C24 1.385(3) . ?
C21 C22 1.364(3) . ?
C21 C20 1.368(3) . ?
C21 H21 0.9300 . ?
O1 C10 1.221(3) . ?
C23 C18 1.383(3) . ?
C23 C22 1.390(3) . ?
C23 H23 0.9300 . ?
C20 C19 1.377(3) . ?
C20 H20 0.9300 . ?
C18 C19 1.382(3) . ?
C8 C7 1.351(3) . ?
C8 C9 1.399(3) . ?
C8 H8 0.9300 . ?
C22 H22 0.9300 . ?
C17 C16 1.377(3) . ?
C17 C12 1.405(3) . ?
C17 H17 0.9300 . ?
N2 C10 1.338(3) . ?
N2 C12 1.412(3) . ?
C6 C7 1.399(3) . ?
C6 C30 1.413(3) . ?
C6 C5 1.416(3) . ?
C19 H19 0.9300 . ?
C30 C31 1.398(3) . ?
C5 C4 1.347(4) . ?
C5 H5 0.9300 . ?
C25 C26 1.367(4) . ?
C25 C24 1.383(3) . ?
C25 H25 0.9300 . ?
C14 C15 1.369(3) . ?
C14 C13 1.399(3) . ?
C14 H14 0.9300 . ?
C12 C13 1.402(3) . ?
C7 H7 0.9300 . ?
C24 H24 0.9300 . ?
C9 C10 1.509(3) . ?
C16 C15 1.376(3) . ?
C16 H16 0.9300 . ?
C28 H28 0.9300 . ?
C15 H15 0.9300 . ?
C31 C3 1.369(3) . ?
C31 H2 0.9300 . ?
C26 H26 0.9300 . ?
C3 C4 1.393(4) . ?
C3 H3 0.9300 . ?
C4 H4 0.9300 . ?
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
_geom_torsion_publ_flag
C13 P1 C29 C28 177.81(18) . . . . ?
C18 P1 C29 C28 67.50(19) . . . . ?
Ru1 P1 C29 C28 -71.98(19) . . . . ?
C13 P1 C29 C24 -6.1(2) . . . . ?
C18 P1 C29 C24 -116.40(19) . . . . ?
Ru1 P1 C29 C24 104.13(18) . . . . ?
C22 C21 C20 C19 -0.2(4) . . . . ?
C22 C23 C18 C19 -0.8(4) . . . . ?
C22 C23 C18 P1 171.76(19) . . . . ?
C13 P1 C18 C19 68.96(19) . . . . ?
C29 P1 C18 C19 -177.12(17) . . . . ?
Ru1 P1 C18 C19 -44.7(2) . . . . ?
C13 P1 C18 C23 -103.6(2) . . . . ?
C29 P1 C18 C23 10.3(2) . . . . ?
Ru1 P1 C18 C23 142.80(16) . . . . ?
C20 C21 C22 C23 0.3(4) . . . . ?
C18 C23 C22 C21 0.2(4) . . . . ?
C21 C20 C19 C18 -0.4(4) . . . . ?
C23 C18 C19 C20 0.9(3) . . . . ?
P1 C18 C19 C20 -171.95(18) . . . . ?
C9 N1 C30 C31 178.8(2) . . . . ?
Ru1 N1 C30 C31 -5.8(3) . . . . ?
C9 N1 C30 C6 -2.3(3) . . . . ?
Ru1 N1 C30 C6 173.11(15) . . . . ?
C7 C6 C30 N1 1.5(3) . . . . ?
C5 C6 C30 N1 -176.7(2) . . . . ?
C7 C6 C30 C31 -179.6(2) . . . . ?
C5 C6 C30 C31 2.2(3) . . . . ?
C7 C6 C5 C4 -179.4(3) . . . . ?
C30 C6 C5 C4 -1.2(4) . . . . ?
C16 C17 C12 C13 -1.4(3) . . . . ?
C16 C17 C12 N2 176.5(2) . . . . ?
C10 N2 C12 C13 177.7(2) . . . . ?
Ru1 N2 C12 C13 4.7(2) . . . . ?
C10 N2 C12 C17 -0.2(3) . . . . ?
Ru1 N2 C12 C17 -173.25(16) . . . . ?
C9 C8 C7 C6 -1.5(4) . . . . ?
C30 C6 C7 C8 0.4(3) . . . . ?
C5 C6 C7 C8 178.6(2) . . . . ?
C26 C25 C24 C29 0.3(4) . . . . ?
C28 C29 C24 C25 0.4(3) . . . . ?
P1 C29 C24 C25 -175.72(19) . . . . ?
C15 C14 C13 C12 -0.3(3) . . . . ?
C15 C14 C13 P1 -175.48(18) . . . . ?
C17 C12 C13 C14 0.9(3) . . . . ?
N2 C12 C13 C14 -177.10(19) . . . . ?
C17 C12 C13 P1 176.28(16) . . . . ?
N2 C12 C13 P1 -1.8(3) . . . . ?
C29 P1 C13 C14 -67.7(2) . . . . ?
C18 P1 C13 C14 43.2(2) . . . . ?
Ru1 P1 C13 C14 173.96(17) . . . . ?
C29 P1 C13 C12 116.99(17) . . . . ?
C18 P1 C13 C12 -132.16(17) . . . . ?
Ru1 P1 C13 C12 -1.35(17) . . . . ?
C30 N1 C9 C8 1.3(3) . . . . ?
Ru1 N1 C9 C8 -174.92(18) . . . . ?
C30 N1 C9 C10 -179.56(19) . . . . ?
Ru1 N1 C9 C10 4.2(2) . . . . ?
C7 C8 C9 N1 0.6(4) . . . . ?
C7 C8 C9 C10 -178.5(2) . . . . ?
C12 C17 C16 C15 1.2(4) . . . . ?
C26 C27 C28 C29 -0.1(4) . . . . ?
C24 C29 C28 C27 -0.5(4) . . . . ?
P1 C29 C28 C27 175.8(2) . . . . ?
C13 C14 C15 C16 0.1(4) . . . . ?
C17 C16 C15 C14 -0.5(4) . . . . ?
N1 C30 C31 C3 177.0(3) . . . . ?
C6 C30 C31 C3 -2.0(4) . . . . ?
C12 N2 C10 O1 3.8(4) . . . . ?
Ru1 N2 C10 O1 177.0(2) . . . . ?
C12 N2 C10 C9 -176.11(18) . . . . ?
Ru1 N2 C10 C9 -2.9(3) . . . . ?
N1 C9 C10 O1 179.0(2) . . . . ?
C8 C9 C10 O1 -1.8(4) . . . . ?
N1 C9 C10 N2 -1.1(3) . . . . ?
C8 C9 C10 N2 178.1(2) . . . . ?
C24 C25 C26 C27 -0.9(4) . . . . ?
C28 C27 C26 C25 0.8(4) . . . . ?
C30 C31 C3 C4 0.6(5) . . . . ?
C6 C5 C4 C3 -0.1(5) . . . . ?
C31 C3 C4 C5 0.4(5) . . . . ?
