#------------------------------------------------------------------------------
#$Date: 2019-11-23 00:12:00 +0200 (Sat, 23 Nov 2019) $
#$Revision: 231629 $
#$URL: file:///home/coder/svn-repositories/cod/cif/4/34/61/4346143.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_4346143
loop_
_publ_author_name
'Brown, Christopher C.'
'Rominger, Frank'
'Limbach, Michael'
'Hofmann, Peter'
_publ_section_title
;
 Bulky N-Phosphino-Functionalized N-Heterocyclic Carbene Ligands:
 Synthesis, Ruthenium Coordination Chemistry, and Ruthenium Alkylidene
 Complexes for Olefin Metathesis.
;
_journal_issue                   21
_journal_name_full               'Inorganic chemistry'
_journal_page_first              10126
_journal_page_last               10140
_journal_paper_doi               10.1021/acs.inorgchem.5b00513
_journal_volume                  54
_journal_year                    2015
_chemical_formula_sum            'C22 H31 Br2 Cl2 N4 P Ru'
_chemical_formula_weight         714.27
_chemical_name_common            'in manuscript 4aBr'
_space_group_IT_number           9
_space_group_name_Hall           'C -2yc'
_space_group_name_H-M_alt        'C 1 c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 c 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                 113.047(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   18.609(3)
_cell_length_b                   19.892(3)
_cell_length_c                   8.7676(15)
_cell_measurement_reflns_used    1910
_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.28
_cell_measurement_theta_min      2.38
_cell_volume                     2986.5(8)
_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-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      200(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.977
_diffrn_measurement_device_type  'Bruker APEX'
_diffrn_measurement_method       'φ and ω scans'
_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  0.0640
_diffrn_reflns_av_sigmaI/netI    0.0678
_diffrn_reflns_limit_h_max       20
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            8498
_diffrn_reflns_theta_full        25.95
_diffrn_reflns_theta_max         25.95
_diffrn_reflns_theta_min         2.38
_exptl_absorpt_coefficient_mu    3.450
_exptl_absorpt_correction_T_max  0.7028
_exptl_absorpt_correction_T_min  0.5916
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Sheldrick, G. M. (2008). SADABS. University of Göttingen, Germany.
;
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.589
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       polyhedron
_exptl_crystal_F_000             1416
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.11
_refine_diff_density_max         0.721
_refine_diff_density_min         -0.806
_refine_diff_density_rms         0.130
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.46(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         2864
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      1.063
_refine_ls_R_factor_all          0.0569
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0252P)²+12.4140P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0864
_refine_ls_wR_factor_ref         0.0926
_reflns_number_gt                2499
_reflns_number_total             2864
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00513_si_002.cif
_cod_data_source_block           chb9
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the
/home/saulius/struct/COD-crude-data/automatic-downloads/DataCite-retrospective/ACS/depositions/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 last updated on
2011-04-26.

Automatic conversion script
Id: cif_fix_values 6909 2019-04-08 15:41:33Z antanas 
;
_cod_original_cell_volume        2986.5(9)
_cod_original_sg_symbol_H-M      Cc
_cod_database_code               4346143
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, 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
Ru1 Ru 0.36059(4) 0.17541(4) 0.36113(9) 0.01952(18) Uani 1 1 d .
Cl1 Cl 0.28115(14) 0.09827(13) 0.4525(3) 0.0287(6) Uani 1 1 d .
Cl2 Cl 0.44761(13) 0.20010(12) 0.6593(3) 0.0239(5) Uani 1 1 d .
Br1 Br 0.32559(8) 0.44371(6) 0.5745(2) 0.0449(3) Uani 1 1 d .
Br2 Br 0.64640(7) 0.01369(6) 0.6577(2) 0.0438(3) Uani 1 1 d .
P1 P 0.41006(14) 0.23866(13) 0.1979(3) 0.0239(6) Uani 1 1 d .
C1 C 0.3059(6) 0.1584(5) 0.1192(14) 0.028(2) Uani 1 1 d .
N2 N 0.3492(5) 0.1871(4) 0.0402(10) 0.027(2) Uani 1 1 d .
C3 C 0.3193(6) 0.1701(6) -0.1303(14) 0.036(3) Uani 1 1 d .
H3 H 0.3393 0.1841 -0.2096 0.044 Uiso 1 1 calc R
C4 C 0.2580(6) 0.1308(6) -0.1576(13) 0.037(3) Uani 1 1 d .
H4 H 0.2262 0.1106 -0.2601 0.044 Uiso 1 1 calc R
N5 N 0.2487(5) 0.1245(4) -0.0058(11) 0.029(2) Uani 1 1 d .
C6 C 0.1878(7) 0.0829(6) 0.0132(14) 0.039(3) Uani 1 1 d .
H6A H 0.1540 0.0645 -0.0948 0.058 Uiso 1 1 calc R
H6B H 0.1565 0.1104 0.0571 0.058 Uiso 1 1 calc R
H6C H 0.2121 0.0459 0.0901 0.058 Uiso 1 1 calc R
C11 C 0.3724(6) 0.3244(6) 0.1067(15) 0.037(3) Uani 1 1 d .
C12 C 0.4143(8) 0.3792(6) 0.2293(16) 0.046(3) Uani 1 1 d .
H12A H 0.4705 0.3765 0.2558 0.069 Uiso 1 1 calc R
H12B H 0.4048 0.3734 0.3309 0.069 Uiso 1 1 calc R
H12C H 0.3946 0.4232 0.1806 0.069 Uiso 1 1 calc R
C13 C 0.3803(8) 0.3358(7) -0.0630(15) 0.052(3) Uani 1 1 d .
H13A H 0.4355 0.3339 -0.0461 0.078 Uiso 1 1 calc R
H13B H 0.3588 0.3799 -0.1076 0.078 Uiso 1 1 calc R
H13C H 0.3514 0.3007 -0.1415 0.078 Uiso 1 1 calc R
C14 C 0.2844(7) 0.3272(7) 0.0654(16) 0.048(3) Uani 1 1 d .
H14A H 0.2580 0.2916 -0.0141 0.072 Uiso 1 1 calc R
H14B H 0.2640 0.3711 0.0170 0.072 Uiso 1 1 calc R
H14C H 0.2751 0.3208 0.1670 0.072 Uiso 1 1 calc R
C15 C 0.5148(6) 0.2294(6) 0.2196(14) 0.032(3) Uani 1 1 d .
C16 C 0.5470(7) 0.2763(7) 0.1214(17) 0.048(3) Uani 1 1 d .
H16A H 0.5170 0.2699 0.0023 0.072 Uiso 1 1 calc R
H16B H 0.6020 0.2656 0.1482 0.072 Uiso 1 1 calc R
H16C H 0.5424 0.3231 0.1511 0.072 Uiso 1 1 calc R
C17 C 0.5250(7) 0.1575(6) 0.1615(17) 0.044(3) Uani 1 1 d .
H17A H 0.5055 0.1244 0.2187 0.065 Uiso 1 1 calc R
H17B H 0.5805 0.1492 0.1875 0.065 Uiso 1 1 calc R
H17C H 0.4955 0.1537 0.0415 0.065 Uiso 1 1 calc R
C18 C 0.5628(6) 0.2402(7) 0.4020(14) 0.043(3) Uani 1 1 d .
H18A H 0.5432 0.2111 0.4673 0.064 Uiso 1 1 calc R
H18B H 0.5590 0.2873 0.4306 0.064 Uiso 1 1 calc R
H18C H 0.6176 0.2291 0.4265 0.064 Uiso 1 1 calc R
N21 N 0.2899(4) 0.2517(4) 0.3901(10) 0.0226(18) Uani 1 1 d .
C22 C 0.3213(6) 0.3096(5) 0.4690(14) 0.031(3) Uani 1 1 d .
H22 H 0.3764 0.3149 0.5114 0.038 Uiso 1 1 calc R
C23 C 0.2772(6) 0.3606(5) 0.4903(14) 0.031(3) Uani 1 1 d .
C24 C 0.1969(6) 0.3522(6) 0.4430(14) 0.032(3) Uani 1 1 d .
H24 H 0.1657 0.3861 0.4632 0.038 Uiso 1 1 calc R
C25 C 0.1646(6) 0.2923(6) 0.3654(15) 0.036(3) Uani 1 1 d .
H25 H 0.1102 0.2844 0.3308 0.043 Uiso 1 1 calc R
C26 C 0.2116(6) 0.2445(5) 0.3385(13) 0.028(2) Uani 1 1 d .
H26 H 0.1881 0.2046 0.2812 0.034 Uiso 1 1 calc R
N31 N 0.4280(5) 0.0877(4) 0.3731(10) 0.0237(19) Uani 1 1 d .
C32 C 0.5013(6) 0.0781(5) 0.4883(13) 0.025(2) Uani 1 1 d .
H32 H 0.5246 0.1127 0.5667 0.030 Uiso 1 1 calc R
C33 C 0.5432(6) 0.0208(5) 0.4964(14) 0.029(2) Uani 1 1 d .
C34 C 0.5107(6) -0.0330(5) 0.3892(14) 0.029(2) Uani 1 1 d .
H34 H 0.5394 -0.0730 0.3938 0.034 Uiso 1 1 calc R
C35 C 0.4346(6) -0.0249(5) 0.2757(14) 0.029(2) Uani 1 1 d .
H35 H 0.4096 -0.0598 0.1995 0.035 Uiso 1 1 calc R
C36 C 0.3953(6) 0.0342(5) 0.2739(14) 0.031(3) Uani 1 1 d .
H36 H 0.3423 0.0376 0.1989 0.038 Uiso 1 1 calc R
C41 C 0.5340(10) 0.3583(9) 0.720(2) 0.071(3) Uiso 0.94(3) 1 d P
C42 C 0.5493(10) 0.4606(8) 0.985(2) 0.071(3) Uiso 1 1 d .
C43 C 0.545(2) 0.446(2) 0.681(6) 0.071(3) Uiso 0.40(4) 1 d P
C44 C 0.586(2) 0.4273(17) 0.856(4) 0.071(3) Uiso 0.49(3) 1 d P
C45 C 0.5433(12) 0.5102(11) 1.122(3) 0.071(3) Uiso 0.85(4) 1 d P
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'
Cl Cl 0.1484 0.1585 '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
C1 Ru1 N21 99.8(3) .
C1 Ru1 N31 87.7(4) .
N21 Ru1 N31 167.8(3) .
C1 Ru1 P1 66.4(3) .
N21 Ru1 P1 95.8(2) .
N31 Ru1 P1 96.1(2) .
C1 Ru1 Cl1 96.8(3) .
N21 Ru1 Cl1 85.8(2) .
N31 Ru1 Cl1 83.7(2) .
P1 Ru1 Cl1 163.23(9) .
C1 Ru1 Cl2 171.6(3) .
N21 Ru1 Cl2 84.9(2) .
N31 Ru1 Cl2 89.0(2) .
P1 Ru1 Cl2 106.32(9) .
Cl1 Ru1 Cl2 90.44(9) .
N2 P1 C15 110.3(5) .
N2 P1 C11 100.2(5) .
C15 P1 C11 109.0(5) .
N2 P1 Ru1 83.1(3) .
C15 P1 Ru1 121.4(4) .
C11 P1 Ru1 124.8(3) .
N5 C1 N2 103.1(9) .
N5 C1 Ru1 148.1(8) .
N2 C1 Ru1 108.1(7) .
C1 N2 C3 111.5(9) .
C1 N2 P1 99.9(7) .
C3 N2 P1 147.7(8) .
C4 C3 N2 106.6(10) .
C4 C3 H3 126.7 .
N2 C3 H3 126.7 .
C3 C4 N5 107.2(10) .
C3 C4 H4 126.4 .
N5 C4 H4 126.4 .
C1 N5 C4 111.5(9) .
C1 N5 C6 125.5(9) .
C4 N5 C6 122.8(9) .
N5 C6 H6A 109.5 .
N5 C6 H6B 109.5 .
H6A C6 H6B 109.5 .
N5 C6 H6C 109.5 .
H6A C6 H6C 109.5 .
H6B C6 H6C 109.5 .
C12 C11 C14 110.2(11) .
C12 C11 C13 110.8(10) .
C14 C11 C13 105.0(9) .
C12 C11 P1 110.2(8) .
C14 C11 P1 108.5(9) .
C13 C11 P1 112.0(8) .
C11 C12 H12A 109.5 .
C11 C12 H12B 109.5 .
H12A C12 H12B 109.5 .
C11 C12 H12C 109.5 .
H12A C12 H12C 109.5 .
H12B C12 H12C 109.5 .
C11 C13 H13A 109.5 .
C11 C13 H13B 109.5 .
H13A C13 H13B 109.5 .
C11 C13 H13C 109.5 .
H13A C13 H13C 109.5 .
H13B C13 H13C 109.5 .
C11 C14 H14A 109.5 .
C11 C14 H14B 109.5 .
H14A C14 H14B 109.5 .
C11 C14 H14C 109.5 .
H14A C14 H14C 109.5 .
H14B C14 H14C 109.5 .
C18 C15 C16 107.9(9) .
C18 C15 C17 112.3(10) .
C16 C15 C17 104.4(9) .
C18 C15 P1 104.6(7) .
C16 C15 P1 119.7(8) .
C17 C15 P1 108.1(7) .
C15 C16 H16A 109.5 .
C15 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
C15 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C15 C17 H17A 109.5 .
C15 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C15 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C15 C18 H18A 109.5 .
C15 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C15 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C22 N21 C26 117.0(9) .
C22 N21 Ru1 121.0(6) .
C26 N21 Ru1 122.0(7) .
N21 C22 C23 122.8(10) .
N21 C22 H22 118.6 .
C23 C22 H22 118.6 .
C22 C23 C24 120.2(11) .
C22 C23 Br1 119.0(9) .
C24 C23 Br1 120.8(8) .
C25 C24 C23 117.1(10) .
C25 C24 H24 121.5 .
C23 C24 H24 121.5 .
C26 C25 C24 119.8(10) .
C26 C25 H25 120.1 .
C24 C25 H25 120.1 .
N21 C26 C25 122.9(10) .
N21 C26 H26 118.5 .
C25 C26 H26 118.5 .
C32 N31 C36 115.7(9) .
C32 N31 Ru1 123.6(7) .
C36 N31 Ru1 120.3(7) .
N31 C32 C33 122.9(10) .
N31 C32 H32 118.6 .
C33 C32 H32 118.6 .
C32 C33 C34 121.1(10) .
C32 C33 Br2 119.5(8) .
C34 C33 Br2 119.4(8) .
C35 C34 C33 116.5(9) .
C35 C34 H34 121.7 .
C33 C34 H34 121.7 .
C36 C35 C34 119.6(10) .
C36 C35 H35 120.2 .
C34 C35 H35 120.2 .
N31 C36 C35 123.9(10) .
N31 C36 H36 118.1 .
C35 C36 H36 118.1 .
C43 C41 C44 47.9(17) .
C45 C42 C44 157.8(18) .
C45 C43 C44 131(4) 2_564
C45 C43 C41 162(4) 2_564
C44 C43 C41 67(2) .
C43 C44 C42 116(3) .
C43 C44 C41 65(2) .
C42 C44 C41 119(2) .
C43 C45 C42 157(3) 2_565
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 1.990(11) .
Ru1 N21 2.087(8) .
Ru1 N31 2.128(8) .
Ru1 P1 2.347(3) .
Ru1 Cl1 2.472(2) .
Ru1 Cl2 2.526(2) .
Br1 C23 1.889(12) .
Br2 C33 1.893(11) .
P1 N2 1.738(9) .
P1 C15 1.891(10) .
P1 C11 1.897(12) .
C1 N5 1.370(13) .
C1 N2 1.375(13) .
N2 C3 1.417(13) .
C3 C4 1.326(15) .
C3 H3 0.9500 .
C4 N5 1.413(14) .
C4 H4 0.9500 .
N5 C6 1.465(14) .
C6 H6A 0.9800 .
C6 H6B 0.9800 .
C6 H6C 0.9800 .
C11 C12 1.516(17) .
C11 C14 1.533(15) .
C11 C13 1.568(16) .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 H13A 0.9800 .
C13 H13B 0.9800 .
C13 H13C 0.9800 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C18 1.512(15) .
C15 C16 1.540(15) .
C15 C17 1.555(16) .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 H17A 0.9800 .
C17 H17B 0.9800 .
C17 H17C 0.9800 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
N21 C22 1.352(13) .
N21 C26 1.354(12) .
C22 C23 1.364(14) .
C22 H22 0.9500 .
C23 C24 1.395(15) .
C24 C25 1.387(16) .
C24 H24 0.9500 .
C25 C26 1.373(14) .
C25 H25 0.9500 .
C26 H26 0.9500 .
N31 C32 1.356(13) .
N31 C36 1.357(13) .
C32 C33 1.366(14) .
C32 H32 0.9500 .
C33 C34 1.395(15) .
C34 C35 1.385(14) .
C34 H34 0.9500 .
C35 C36 1.382(14) .
C35 H35 0.9500 .
C36 H36 0.9500 .
C41 C43 1.80(5) .
C41 C44 1.83(4) .
C42 C45 1.59(3) .
C42 C44 1.66(4) .
C43 C45 1.01(5) 2_564
C43 C44 1.47(5) .
C45 C43 1.01(5) 2_565
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_4
C1 Ru1 P1 N2 -9.1(4) . .
N21 Ru1 P1 N2 -107.2(4) . .
N31 Ru1 P1 N2 75.7(4) . .
Cl1 Ru1 P1 N2 -12.6(5) . .
Cl2 Ru1 P1 N2 166.4(3) . .
C1 Ru1 P1 C15 -118.7(5) . .
N21 Ru1 P1 C15 143.1(5) . .
N31 Ru1 P1 C15 -34.0(5) . .
Cl1 Ru1 P1 C15 -122.3(5) . .
Cl2 Ru1 P1 C15 56.7(4) . .
C1 Ru1 P1 C11 88.5(6) . .
N21 Ru1 P1 C11 -9.6(5) . .
N31 Ru1 P1 C11 173.3(5) . .
Cl1 Ru1 P1 C11 85.0(6) . .
Cl2 Ru1 P1 C11 -96.0(5) . .
N21 Ru1 C1 N5 -88.0(14) . .
N31 Ru1 C1 N5 82.3(14) . .
P1 Ru1 C1 N5 179.9(15) . .
Cl1 Ru1 C1 N5 -1.1(14) . .
Cl2 Ru1 C1 N5 148.6(14) . .
N21 Ru1 C1 N2 104.1(7) . .
N31 Ru1 C1 N2 -85.6(7) . .
P1 Ru1 C1 N2 12.0(5) . .
Cl1 Ru1 C1 N2 -169.0(6) . .
Cl2 Ru1 C1 N2 -19(2) . .
N5 C1 N2 C3 -0.8(11) . .
Ru1 C1 N2 C3 172.7(7) . .
N5 C1 N2 P1 171.4(6) . .
Ru1 C1 N2 P1 -15.2(7) . .
C15 P1 N2 C1 133.3(6) . .
C11 P1 N2 C1 -111.9(6) . .
Ru1 P1 N2 C1 12.3(5) . .
C15 P1 N2 C3 -60.4(15) . .
C11 P1 N2 C3 54.4(15) . .
Ru1 P1 N2 C3 178.6(14) . .
C1 N2 C3 C4 -0.3(13) . .
P1 N2 C3 C4 -165.8(11) . .
N2 C3 C4 N5 1.3(13) . .
N2 C1 N5 C4 1.6(11) . .
Ru1 C1 N5 C4 -166.6(11) . .
N2 C1 N5 C6 177.7(9) . .
Ru1 C1 N5 C6 10(2) . .
C3 C4 N5 C1 -1.9(13) . .
C3 C4 N5 C6 -178.1(10) . .
N2 P1 C11 C12 176.5(8) . .
C15 P1 C11 C12 -67.7(9) . .
Ru1 P1 C11 C12 87.9(8) . .
N2 P1 C11 C14 55.8(9) . .
C15 P1 C11 C14 171.6(8) . .
Ru1 P1 C11 C14 -32.8(10) . .
N2 P1 C11 C13 -59.6(9) . .
C15 P1 C11 C13 56.2(10) . .
Ru1 P1 C11 C13 -148.3(7) . .
N2 P1 C15 C18 -148.0(8) . .
C11 P1 C15 C18 102.9(9) . .
Ru1 P1 C15 C18 -53.6(9) . .
N2 P1 C15 C16 91.0(10) . .
C11 P1 C15 C16 -18.0(11) . .
Ru1 P1 C15 C16 -174.6(8) . .
N2 P1 C15 C17 -28.2(9) . .
C11 P1 C15 C17 -137.2(8) . .
Ru1 P1 C15 C17 66.2(8) . .
C1 Ru1 N21 C22 -129.8(8) . .
N31 Ru1 N21 C22 103.4(16) . .
P1 Ru1 N21 C22 -62.8(8) . .
Cl1 Ru1 N21 C22 134.0(8) . .
Cl2 Ru1 N21 C22 43.2(8) . .
C1 Ru1 N21 C26 53.4(8) . .
N31 Ru1 N21 C26 -73.4(18) . .
P1 Ru1 N21 C26 120.4(8) . .
Cl1 Ru1 N21 C26 -42.8(8) . .
Cl2 Ru1 N21 C26 -133.6(8) . .
C26 N21 C22 C23 -3.1(15) . .
Ru1 N21 C22 C23 179.9(8) . .
N21 C22 C23 C24 5.7(17) . .
N21 C22 C23 Br1 -171.3(8) . .
C22 C23 C24 C25 -4.0(17) . .
Br1 C23 C24 C25 172.9(8) . .
C23 C24 C25 C26 0.1(17) . .
C22 N21 C26 C25 -1.0(15) . .
Ru1 N21 C26 C25 175.9(8) . .
C24 C25 C26 N21 2.5(17) . .
C1 Ru1 N31 C32 152.5(8) . .
N21 Ru1 N31 C32 -79.6(18) . .
P1 Ru1 N31 C32 86.6(8) . .
Cl1 Ru1 N31 C32 -110.3(8) . .
Cl2 Ru1 N31 C32 -19.7(8) . .
C1 Ru1 N31 C36 -34.8(8) . .
N21 Ru1 N31 C36 93.1(17) . .
P1 Ru1 N31 C36 -100.8(8) . .
Cl1 Ru1 N31 C36 62.4(8) . .
Cl2 Ru1 N31 C36 152.9(8) . .
C36 N31 C32 C33 5.6(15) . .
Ru1 N31 C32 C33 178.6(8) . .
N31 C32 C33 C34 -2.9(17) . .
N31 C32 C33 Br2 178.0(8) . .
C32 C33 C34 C35 0.0(16) . .
Br2 C33 C34 C35 179.1(8) . .
C33 C34 C35 C36 -0.1(16) . .
C32 N31 C36 C35 -5.8(15) . .
Ru1 N31 C36 C35 -179.0(8) . .
C34 C35 C36 N31 3.2(17) . .
C44 C41 C43 C45 173(14) . 2_564
C45 C43 C44 C42 71(6) 2_564 .
C41 C43 C44 C42 -112(3) . .
C45 C43 C44 C41 -177(6) 2_564 .
C45 C42 C44 C43 -103(5) . .
C45 C42 C44 C41 -178(4) . .
C43 C41 C44 C42 107(3) . .
C44 C42 C45 C43 42(11) . 2_565
