#------------------------------------------------------------------------------
#$Date: 2022-02-04 21:03:07 +0200 (Fri, 04 Feb 2022) $
#$Revision: 272554 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/51/1565172.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_1565172
loop_
_publ_author_name
'Illam, Praseetha Mathoor'
'Rit, Arnab'
_publ_section_title
;
 Electronically tuneable orthometalated RuII--NHC complexes as efficient
 catalysts for C--C and C--N bond formations via borrowing hydrogen
 strategy
;
_journal_issue                   1
_journal_name_full               'Catalysis Science & Technology'
_journal_page_first              67
_journal_page_last               74
_journal_paper_doi               10.1039/D1CY01767E
_journal_volume                  12
_journal_year                    2022
_chemical_formula_sum            'C20 H23 Br N4 O2 Ru'
_chemical_formula_weight         532.40
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2021-08-09 deposited with the CCDC.	2021-11-09 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 95.2089(14)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   7.9180(2)
_cell_length_b                   17.8000(5)
_cell_length_c                   14.7128(5)
_cell_measurement_reflns_used    4575
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.02
_cell_measurement_theta_min      2.68
_cell_volume                     2065.06(11)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0363
_diffrn_reflns_av_unetI/netI     0.0410
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 1.000
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            13299
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 1.000
_diffrn_reflns_theta_full        24.999
_diffrn_reflns_theta_max         24.999
_diffrn_reflns_theta_min         1.800
_exptl_absorpt_coefficient_mu    2.717
_exptl_absorpt_correction_T_max  0.773
_exptl_absorpt_correction_T_min  0.686
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS V2014/5(Bruker AXS.Inc)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.712
_exptl_crystal_description       Block
_exptl_crystal_F_000             1064
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.120
_exptl_crystal_size_min          0.100
_refine_diff_density_max         0.297
_refine_diff_density_min         -0.392
_refine_diff_density_rms         0.072
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     257
_refine_ls_number_reflns         3650
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0407
_refine_ls_R_factor_gt           0.0280
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0237P)²+0.1388P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0561
_refine_ls_wR_factor_ref         0.0600
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2963
_reflns_number_total             3650
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1cy01767e2.cif
_cod_data_source_block           4NO2Tz
_cod_depositor_comments          'Adding full bibliography for 1565172.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1565172
_shelx_shelxl_version_number     2014/7
_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. 
;
_shelx_estimated_absorpt_t_min   0.686
_shelx_estimated_absorpt_t_max   0.773
loop_
_space_group_symop_operation_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_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
Br1 Br 1.15594(4) 0.76858(2) 0.26717(3) 0.04327(12) Uani 1 1 d . . . . .
C1 C 0.6003(4) 0.68042(17) 0.2944(2) 0.0368(8) Uani 1 1 d . . . . .
C2 C 0.5933(4) 0.74967(18) 0.2462(2) 0.0405(9) Uani 1 1 d . . . . .
H2 H 0.5283 0.7524 0.1904 0.049 Uiso 1 1 calc R U . . .
C3 C 0.6807(4) 0.81429(18) 0.2795(3) 0.0432(9) Uani 1 1 d . . . . .
H3 H 0.6680 0.8593 0.2474 0.052 Uiso 1 1 calc R U . . .
C4 C 0.7863(5) 0.81094(18) 0.3606(3) 0.0436(9) Uani 1 1 d . . . . .
C5 C 0.7982(4) 0.74240(18) 0.4096(2) 0.0413(9) Uani 1 1 d . . . . .
H5 H 0.8666 0.7393 0.4643 0.050 Uiso 1 1 calc R U . . .
C6 C 0.7076(4) 0.67942(18) 0.3760(2) 0.0377(8) Uani 1 1 d . . . . .
H6 H 0.7186 0.6349 0.4091 0.045 Uiso 1 1 calc R U . . .
C7 C 0.4925(4) 0.61369(19) 0.2594(3) 0.0515(10) Uani 1 1 d . . . . .
H7 H 0.3778 0.6232 0.2767 0.062 Uiso 1 1 calc R U . . .
C8 C 0.4767(6) 0.6060(3) 0.1560(3) 0.1001(18) Uani 1 1 d . . . . .
H8A H 0.4273 0.6509 0.1290 0.150 Uiso 1 1 calc R U . . .
H8B H 0.4057 0.5638 0.1384 0.150 Uiso 1 1 calc R U . . .
H8C H 0.5871 0.5985 0.1354 0.150 Uiso 1 1 calc R U . . .
C9 C 0.8858(6) 0.8794(2) 0.3960(3) 0.0759(14) Uani 1 1 d . . . . .
H9A H 0.9108 0.9104 0.3456 0.114 Uiso 1 1 calc R U . . .
H9B H 0.9899 0.8635 0.4291 0.114 Uiso 1 1 calc R U . . .
H9C H 0.8199 0.9075 0.4358 0.114 Uiso 1 1 calc R U . . .
C10 C 0.9728(4) 0.61054(14) 0.2669(2) 0.0246(7) Uani 1 1 d . . . . .
C11 C 1.0282(4) 0.56624(15) 0.3416(2) 0.0297(8) Uani 1 1 d . . . . .
H11 H 1.0249 0.5848 0.4005 0.036 Uiso 1 1 calc R U . . .
C12 C 1.0885(4) 0.49412(15) 0.3278(2) 0.0285(7) Uani 1 1 d . . . . .
C13 C 1.1045(4) 0.46397(16) 0.2428(2) 0.0341(8) Uani 1 1 d . . . . .
H13 H 1.1443 0.4153 0.2364 0.041 Uiso 1 1 calc R U . . .
C14 C 1.0599(4) 0.50808(16) 0.1672(2) 0.0349(8) Uani 1 1 d . . . . .
H14 H 1.0719 0.4907 0.1085 0.042 Uiso 1 1 calc R U . . .
C15 C 0.9967(4) 0.57899(15) 0.1820(2) 0.0272(7) Uani 1 1 d . . . . .
C16 C 0.8962(5) 0.68072(19) -0.0147(2) 0.0479(10) Uani 1 1 d . . . . .
H16 H 0.8867 0.6919 -0.0767 0.058 Uiso 1 1 calc R U . . .
C17 C 0.8772(4) 0.69519(15) 0.1331(2) 0.0274(7) Uani 1 1 d . . . . .
C18 C 0.7789(5) 0.80483(19) 0.0330(2) 0.0505(10) Uani 1 1 d . . . . .
H18A H 0.6848 0.8133 0.0696 0.061 Uiso 1 1 calc R U . . .
H18B H 0.7363 0.8091 -0.0308 0.061 Uiso 1 1 calc R U . . .
C19 C 0.9108(5) 0.8637(2) 0.0548(3) 0.0774(15) Uani 1 1 d . . . . .
H19A H 0.9518 0.8603 0.1182 0.116 Uiso 1 1 calc R U . . .
H19B H 0.8623 0.9124 0.0426 0.116 Uiso 1 1 calc R U . . .
H19C H 1.0032 0.8561 0.0179 0.116 Uiso 1 1 calc R U . . .
C22 C 0.5492(6) 0.5395(2) 0.3042(3) 0.0849(16) Uani 1 1 d . . . . .
H22A H 0.6633 0.5287 0.2912 0.127 Uiso 1 1 calc R U . . .
H22B H 0.4754 0.5000 0.2806 0.127 Uiso 1 1 calc R U . . .
H22C H 0.5446 0.5432 0.3690 0.127 Uiso 1 1 calc R U . . .
N1 N 1.1354(3) 0.44757(14) 0.4084(2) 0.0384(7) Uani 1 1 d . . . . .
N2 N 0.8459(3) 0.72856(13) 0.05047(18) 0.0351(7) Uani 1 1 d . . . . .
N3 N 0.9586(4) 0.61835(15) 0.01883(19) 0.0450(8) Uani 1 1 d . . . . .
N4 N 0.9447(3) 0.62844(13) 0.11043(18) 0.0313(6) Uani 1 1 d . . . . .
O1 O 1.1166(3) 0.37913(12) 0.40139(18) 0.0611(8) Uani 1 1 d . . . . .
O2 O 1.1872(3) 0.47828(13) 0.47970(18) 0.0572(7) Uani 1 1 d . . . . .
Ru1 Ru 0.85900(3) 0.71521(2) 0.26651(2) 0.02504(9) 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'
Br Br -0.2901 2.4595 '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
C6 C1 C2 115.5(3) . . ?
C6 C1 C7 123.7(3) . . ?
C2 C1 C7 120.8(3) . . ?
C6 C1 Ru1 70.42(18) . . ?
C2 C1 Ru1 70.10(18) . . ?
C7 C1 Ru1 130.9(2) . . ?
C3 C2 C1 122.6(3) . . ?
C3 C2 Ru1 75.23(19) . . ?
C1 C2 Ru1 72.22(17) . . ?
C3 C2 H2 118.7 . . ?
C1 C2 H2 118.7 . . ?
Ru1 C2 H2 125.7 . . ?
C4 C3 C2 120.0(3) . . ?
C4 C3 Ru1 73.18(18) . . ?
C2 C3 Ru1 68.10(17) . . ?
C4 C3 H3 120.0 . . ?
C2 C3 H3 120.0 . . ?
Ru1 C3 H3 131.5 . . ?
C3 C4 C5 118.6(3) . . ?
C3 C4 C9 120.8(3) . . ?
C5 C4 C9 120.6(4) . . ?
C3 C4 Ru1 71.35(19) . . ?
C5 C4 Ru1 70.09(18) . . ?
C9 C4 Ru1 130.6(3) . . ?
C6 C5 C4 120.3(3) . . ?
C6 C5 Ru1 69.16(19) . . ?
C4 C5 Ru1 73.7(2) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
Ru1 C5 H5 129.7 . . ?
C5 C6 C1 122.9(3) . . ?
C5 C6 Ru1 74.2(2) . . ?
C1 C6 Ru1 72.33(19) . . ?
C5 C6 H6 118.6 . . ?
C1 C6 H6 118.6 . . ?
Ru1 C6 H6 127.0 . . ?
C8 C7 C22 110.4(4) . . ?
C8 C7 C1 113.6(3) . . ?
C22 C7 C1 113.2(3) . . ?
C8 C7 H7 106.3 . . ?
C22 C7 H7 106.3 . . ?
C1 C7 H7 106.3 . . ?
C7 C8 H8A 109.5 . . ?
C7 C8 H8B 109.5 . . ?
H8A C8 H8B 109.5 . . ?
C7 C8 H8C 109.5 . . ?
H8A C8 H8C 109.5 . . ?
H8B C8 H8C 109.5 . . ?
C4 C9 H9A 109.5 . . ?
C4 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C4 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C11 C10 C15 114.8(3) . . ?
C11 C10 Ru1 128.2(2) . . ?
C15 C10 Ru1 117.0(2) . . ?
C12 C11 C10 119.7(3) . . ?
C12 C11 H11 120.2 . . ?
C10 C11 H11 120.2 . . ?
C13 C12 C11 123.6(3) . . ?
C13 C12 N1 118.5(3) . . ?
C11 C12 N1 117.9(3) . . ?
C12 C13 C14 118.2(3) . . ?
C12 C13 H13 120.9 . . ?
C14 C13 H13 120.9 . . ?
C13 C14 C15 117.5(3) . . ?
C13 C14 H14 121.2 . . ?
C15 C14 H14 121.2 . . ?
C14 C15 C10 126.0(3) . . ?
C14 C15 N4 122.6(3) . . ?
C10 C15 N4 111.3(2) . . ?
N3 C16 N2 113.0(3) . . ?
N3 C16 H16 123.5 . . ?
N2 C16 H16 123.5 . . ?
N2 C17 N4 102.0(3) . . ?
N2 C17 Ru1 140.7(2) . . ?
N4 C17 Ru1 117.4(2) . . ?
N2 C18 C19 112.0(3) . . ?
N2 C18 H18A 109.2 . . ?
C19 C18 H18A 109.2 . . ?
N2 C18 H18B 109.2 . . ?
C19 C18 H18B 109.2 . . ?
H18A C18 H18B 107.9 . . ?
C18 C19 H19A 109.5 . . ?
C18 C19 H19B 109.5 . . ?
H19A C19 H19B 109.5 . . ?
C18 C19 H19C 109.5 . . ?
H19A C19 H19C 109.5 . . ?
H19B C19 H19C 109.5 . . ?
C7 C22 H22A 109.5 . . ?
C7 C22 H22B 109.5 . . ?
H22A C22 H22B 109.5 . . ?
C7 C22 H22C 109.5 . . ?
H22A C22 H22C 109.5 . . ?
H22B C22 H22C 109.5 . . ?
O2 N1 O1 123.0(3) . . ?
O2 N1 C12 118.8(3) . . ?
O1 N1 C12 118.2(3) . . ?
C17 N2 C16 108.4(3) . . ?
C17 N2 C18 126.5(3) . . ?
C16 N2 C18 125.1(3) . . ?
C16 N3 N4 101.6(3) . . ?
C17 N4 N3 115.1(2) . . ?
C17 N4 C15 117.3(3) . . ?
N3 N4 C15 127.5(2) . . ?
C17 Ru1 C10 76.91(12) . . ?
C17 Ru1 C2 94.00(13) . . ?
C10 Ru1 C2 131.79(12) . . ?
C17 Ru1 C6 139.37(13) . . ?
C10 Ru1 C6 90.19(12) . . ?
C2 Ru1 C6 66.26(12) . . ?
C17 Ru1 C1 106.32(12) . . ?
C10 Ru1 C1 99.06(11) . . ?
C2 Ru1 C1 37.68(11) . . ?
C6 Ru1 C1 37.25(12) . . ?
C17 Ru1 C5 171.45(12) . . ?
C10 Ru1 C5 108.70(12) . . ?
C2 Ru1 C5 77.45(13) . . ?
C6 Ru1 C5 36.60(12) . . ?
C1 Ru1 C5 66.86(13) . . ?
C17 Ru1 C3 108.59(12) . . ?
C10 Ru1 C3 165.88(12) . . ?
C2 Ru1 C3 36.67(12) . . ?
C6 Ru1 C3 77.19(12) . . ?
C1 Ru1 C3 67.04(12) . . ?
C5 Ru1 C3 64.45(12) . . ?
C17 Ru1 C4 139.62(12) . . ?
C10 Ru1 C4 142.89(13) . . ?
C2 Ru1 C4 65.44(13) . . ?
C6 Ru1 C4 65.73(12) . . ?
C1 Ru1 C4 79.01(12) . . ?
C5 Ru1 C4 36.19(12) . . ?
C3 Ru1 C4 35.47(12) . . ?
C17 Ru1 Br1 85.50(8) . . ?
C10 Ru1 Br1 86.22(8) . . ?
C2 Ru1 Br1 140.92(9) . . ?
C6 Ru1 Br1 132.54(9) . . ?
C1 Ru1 Br1 167.84(9) . . ?
C5 Ru1 Br1 101.11(9) . . ?
C3 Ru1 Br1 106.94(9) . . ?
C4 Ru1 Br1 90.15(9) . . ?
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
Br1 Ru1 2.5350(4) . ?
C1 C6 1.406(4) . ?
C1 C2 1.421(4) . ?
C1 C7 1.525(4) . ?
C1 Ru1 2.214(3) . ?
C2 C3 1.407(5) . ?
C2 Ru1 2.186(3) . ?
C2 H2 0.9300 . ?
C3 C4 1.395(5) . ?
C3 Ru1 2.278(3) . ?
C3 H3 0.9300 . ?
C4 C5 1.416(4) . ?
C4 C9 1.517(5) . ?
C4 Ru1 2.302(3) . ?
C5 C6 1.397(4) . ?
C5 Ru1 2.254(3) . ?
C5 H5 0.9300 . ?
C6 Ru1 2.189(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.521(5) . ?
C7 C22 1.524(5) . ?
C7 H7 0.9800 . ?
C8 H8A 0.9600 . ?
C8 H8B 0.9600 . ?
C8 H8C 0.9600 . ?
C9 H9A 0.9600 . ?
C9 H9B 0.9600 . ?
C9 H9C 0.9600 . ?
C10 C11 1.391(4) . ?
C10 C15 1.398(4) . ?
C10 Ru1 2.069(3) . ?
C11 C12 1.391(4) . ?
C11 H11 0.9300 . ?
C12 C13 1.378(4) . ?
C12 N1 1.466(4) . ?
C13 C14 1.381(4) . ?
C13 H13 0.9300 . ?
C14 C15 1.382(4) . ?
C14 H14 0.9300 . ?
C15 N4 1.405(4) . ?
C16 N3 1.295(4) . ?
C16 N2 1.369(4) . ?
C16 H16 0.9300 . ?
C17 N2 1.356(4) . ?
C17 N4 1.357(3) . ?
C17 Ru1 2.013(3) . ?
C18 N2 1.472(4) . ?
C18 C19 1.494(5) . ?
C18 H18A 0.9700 . ?
C18 H18B 0.9700 . ?
C19 H19A 0.9600 . ?
C19 H19B 0.9600 . ?
C19 H19C 0.9600 . ?
C22 H22A 0.9600 . ?
C22 H22B 0.9600 . ?
C22 H22C 0.9600 . ?
N1 O2 1.221(3) . ?
N1 O1 1.230(3) . ?
N3 N4 1.374(3) . ?
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
C6 C1 C2 C3 -3.0(5) . . . . ?
C7 C1 C2 C3 175.1(3) . . . . ?
Ru1 C1 C2 C3 -58.4(3) . . . . ?
C6 C1 C2 Ru1 55.4(3) . . . . ?
C7 C1 C2 Ru1 -126.4(3) . . . . ?
C1 C2 C3 C4 3.4(5) . . . . ?
Ru1 C2 C3 C4 -53.6(3) . . . . ?
C1 C2 C3 Ru1 57.0(3) . . . . ?
C2 C3 C4 C5 -2.3(5) . . . . ?
Ru1 C3 C4 C5 -53.6(3) . . . . ?
C2 C3 C4 C9 178.1(3) . . . . ?
Ru1 C3 C4 C9 126.7(3) . . . . ?
C2 C3 C4 Ru1 51.3(3) . . . . ?
C3 C4 C5 C6 1.0(5) . . . . ?
C9 C4 C5 C6 -179.3(3) . . . . ?
Ru1 C4 C5 C6 -53.2(3) . . . . ?
C3 C4 C5 Ru1 54.2(3) . . . . ?
C9 C4 C5 Ru1 -126.1(3) . . . . ?
C4 C5 C6 C1 -0.8(5) . . . . ?
Ru1 C5 C6 C1 -56.1(3) . . . . ?
C4 C5 C6 Ru1 55.3(3) . . . . ?
C2 C1 C6 C5 1.7(5) . . . . ?
C7 C1 C6 C5 -176.4(3) . . . . ?
Ru1 C1 C6 C5 57.0(3) . . . . ?
C2 C1 C6 Ru1 -55.3(2) . . . . ?
C7 C1 C6 Ru1 126.7(3) . . . . ?
C6 C1 C7 C8 -144.3(4) . . . . ?
C2 C1 C7 C8 37.7(5) . . . . ?
Ru1 C1 C7 C8 -51.7(5) . . . . ?
C6 C1 C7 C22 -17.3(5) . . . . ?
C2 C1 C7 C22 164.8(3) . . . . ?
Ru1 C1 C7 C22 75.3(4) . . . . ?
C15 C10 C11 C12 -5.0(4) . . . . ?
Ru1 C10 C11 C12 174.3(2) . . . . ?
C10 C11 C12 C13 3.1(5) . . . . ?
C10 C11 C12 N1 -176.2(3) . . . . ?
C11 C12 C13 C14 0.7(5) . . . . ?
N1 C12 C13 C14 179.9(3) . . . . ?
C12 C13 C14 C15 -2.0(4) . . . . ?
C13 C14 C15 C10 -0.3(5) . . . . ?
C13 C14 C15 N4 -179.0(3) . . . . ?
C11 C10 C15 C14 3.8(4) . . . . ?
Ru1 C10 C15 C14 -175.6(2) . . . . ?
C11 C10 C15 N4 -177.3(2) . . . . ?
Ru1 C10 C15 N4 3.3(3) . . . . ?
C13 C12 N1 O2 151.0(3) . . . . ?
C11 C12 N1 O2 -29.7(4) . . . . ?
C13 C12 N1 O1 -30.8(4) . . . . ?
C11 C12 N1 O1 148.5(3) . . . . ?
N4 C17 N2 C16 -0.2(3) . . . . ?
Ru1 C17 N2 C16 178.1(3) . . . . ?
N4 C17 N2 C18 -176.9(3) . . . . ?
Ru1 C17 N2 C18 1.4(6) . . . . ?
N3 C16 N2 C17 -0.1(4) . . . . ?
N3 C16 N2 C18 176.7(3) . . . . ?
C19 C18 N2 C17 76.3(4) . . . . ?
C19 C18 N2 C16 -99.8(4) . . . . ?
N2 C16 N3 N4 0.3(4) . . . . ?
N2 C17 N4 N3 0.4(3) . . . . ?
Ru1 C17 N4 N3 -178.3(2) . . . . ?
N2 C17 N4 C15 178.6(2) . . . . ?
Ru1 C17 N4 C15 -0.2(3) . . . . ?
C16 N3 N4 C17 -0.5(4) . . . . ?
C16 N3 N4 C15 -178.4(3) . . . . ?
C14 C15 N4 C17 176.9(3) . . . . ?
C10 C15 N4 C17 -2.0(4) . . . . ?
C14 C15 N4 N3 -5.2(5) . . . . ?
C10 C15 N4 N3 175.9(3) . . . . ?
