#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/06/39/4063909.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_4063909
loop_
_publ_author_name
'Ghosh, Kaushik'
'Kumar, Sushil'
'Kumar, Rajan'
'Singh, Udai P.'
'Goel, Nidhi'
_publ_section_title
;
 Photocleavage of Coordinated NO under Visible Light from Two Different
 Classes of Organometallic Ruthenium Nitrosyl Complexes: Reversible
 Binding of Phenolato Function
;
_journal_issue                   9
_journal_name_full               Organometallics
_journal_page_first              2498
_journal_paper_doi               10.1021/om101022p
_journal_volume                  30
_journal_year                    2011
_chemical_formula_moiety         'C49 H37 Cl2 N2 O3 P2 Ru, 2(C H2 Cl2)'
_chemical_formula_sum            'C51 H41 Cl6 N2 O3 P2 Ru'
_chemical_formula_weight         1105.57
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           36
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2c -2'
_symmetry_space_group_name_H-M   'C m c 21'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.000(5)
_cell_angle_beta                 90.000(5)
_cell_angle_gamma                90.000(5)
_cell_formula_units_Z            4
_cell_length_a                   14.854(5)
_cell_length_b                   18.898(5)
_cell_length_c                   17.153(5)
_cell_measurement_reflns_used    123
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      22.06
_cell_measurement_theta_min      1.74
_cell_volume                     4815(2)
_computing_data_collection       MULTI_SCAN
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(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  0.0718
_diffrn_reflns_av_sigmaI/netI    0.0374
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       19
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            33885
_diffrn_reflns_theta_full        22.06
_diffrn_reflns_theta_max         22.06
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    0.771
_exptl_absorpt_correction_T_max  0.877
_exptl_absorpt_correction_T_min  0.808
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2000)'
_exptl_crystal_density_diffrn    1.515
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2244
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.17
_refine_diff_density_max         2.321
_refine_diff_density_min         -1.669
_refine_diff_density_rms         0.703
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.13(7)
_refine_ls_extinction_coef       0.0118(11)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   0.945
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     334
_refine_ls_number_reflns         2954
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.945
_refine_ls_R_factor_all          0.0709
_refine_ls_R_factor_gt           0.0573
_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)+(0.2000P)²+0.7269P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1677
_refine_ls_wR_factor_ref         0.1968
_reflns_number_gt                2695
_reflns_number_total             2954
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om101022p_si_003.cif
_cod_data_source_block           ups526kgsk1b_0m
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Orthorhombic' changed to
'orthorhombic' according to
/home/saulius/struct/CIF-dictionaries/cif_core.dic dictionary named
'cif_core.dic' version 2.4.1 from
2010-06-29.

'_exptl_absorpt_correction_type' value 'multi_scan'
changed to 'multi-scan' 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_values 1715 2011-07-08 13:25:40Z adriana 
;
_cod_original_sg_symbol_Hall     'C 2c -2 '
_cod_database_code               4063909
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, z+1/2'
'-x, y, z'
'x, -y, z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, -y+1/2, 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 0.5000 0.51161(5) 0.91368(4) 0.0234(5) Uani 1 2 d SU
Cl1 Cl 0.5000 0.47986(18) 1.0457(2) 0.0309(10) Uani 1 2 d SU
Cl2 Cl 0.5000 0.2063(2) 0.8901(2) 0.0567(13) Uani 1 2 d SU
Cl3 Cl 0.5000 0.0241(3) 0.9028(4) 0.0807(16) Uani 1 2 d SU
Cl4 Cl 0.5000 -0.0438(3) 0.7517(4) 0.0829(17) Uani 1 2 d SU
Cl5 Cl 0.5000 0.0696(3) 0.5934(4) 0.089(2) Uani 1 2 d SU
Cl6 Cl 0.5000 0.2189(4) 0.5649(4) 0.101(2) Uani 1 2 d SU
P1 P 0.66061(14) 0.51353(11) 0.9173(2) 0.0268(7) Uani 1 1 d U
O1 O 0.5000 0.6254(4) 0.9181(7) 0.0365(19) Uani 1 2 d SU
O2 O 0.5000 0.8128(6) 0.6262(7) 0.065(3) Uani 1 2 d SU
N1 N 0.5000 0.5390(7) 0.7979(7) 0.0393(19) Uani 1 2 d SU
N2 N 0.5000 0.7483(7) 0.6296(7) 0.0393(19) Uani 1 2 d SU
C1 C 0.7060(8) 0.5263(6) 0.7588(7) 0.045(3) Uani 1 1 d U
H1 H 0.6822 0.4811 0.7528 0.054 Uiso 1 1 calc R
C2 C 0.7110(8) 0.5575(6) 0.8358(7) 0.039(2) Uani 1 1 d U
C3 C 0.7510(8) 0.6240(8) 0.8394(8) 0.053(3) Uani 1 1 d U
H3 H 0.7577 0.6457 0.8877 0.063 Uiso 1 1 calc R
C4 C 0.7813(10) 0.6592(8) 0.7724(10) 0.072(3) Uani 1 1 d U
H4 H 0.8083 0.7035 0.7764 0.086 Uiso 1 1 calc R
C5 C 0.7711(12) 0.6284(9) 0.7020(9) 0.077(4) Uani 1 1 d U
H5 H 0.7888 0.6529 0.6575 0.093 Uiso 1 1 calc R
C6 C 0.7361(10) 0.5630(8) 0.6944(8) 0.065(3) Uani 1 1 d U
H6 H 0.7321 0.5423 0.6453 0.078 Uiso 1 1 calc R
C7 C 0.7177(6) 0.4269(5) 0.9248(7) 0.036(2) Uani 1 1 d U
C8 C 0.6899(9) 0.3832(7) 0.9800(8) 0.054(3) Uani 1 1 d U
H8 H 0.6446 0.3981 1.0135 0.065 Uiso 1 1 calc R
C9 C 0.7259(9) 0.3157(7) 0.9900(9) 0.062(3) Uani 1 1 d U
H9 H 0.7066 0.2862 1.0300 0.074 Uiso 1 1 calc R
C10 C 0.7913(9) 0.2944(7) 0.9377(9) 0.071(4) Uani 1 1 d U
H10 H 0.8152 0.2490 0.9405 0.085 Uiso 1 1 calc R
C11 C 0.8212(11) 0.3413(9) 0.8811(9) 0.092(5) Uani 1 1 d U
H11 H 0.8690 0.3284 0.8492 0.110 Uiso 1 1 calc R
C12 C 0.7827(10) 0.4046(8) 0.8715(8) 0.067(4) Uani 1 1 d U
H12 H 0.7990 0.4334 0.8299 0.081 Uiso 1 1 calc R
C13 C 0.7079(7) 0.5621(5) 1.0018(6) 0.028(2) Uani 1 1 d U
C14 C 0.7997(7) 0.5491(6) 1.0202(8) 0.049(3) Uani 1 1 d U
H14 H 0.8336 0.5163 0.9924 0.059 Uiso 1 1 calc R
C15 C 0.8373(8) 0.5881(7) 1.0824(8) 0.056(3) Uani 1 1 d U
H15 H 0.8966 0.5797 1.0971 0.067 Uiso 1 1 calc R
C16 C 0.7884(9) 0.6375(7) 1.1211(8) 0.052(3) Uani 1 1 d U
H16 H 0.8155 0.6642 1.1602 0.063 Uiso 1 1 calc R
C17 C 0.6982(9) 0.6487(7) 1.1029(7) 0.050(3) Uani 1 1 d U
H17 H 0.6640 0.6815 1.1305 0.060 Uiso 1 1 calc R
C18 C 0.6607(7) 0.6098(5) 1.0426(6) 0.037(2) Uani 1 1 d U
H18 H 0.6005 0.6171 1.0300 0.044 Uiso 1 1 calc R
C19 C 0.5000 0.6117(7) 0.7830(8) 0.032(3) Uani 1 2 d SU
C20 C 0.5000 0.6557(7) 0.8531(8) 0.023(2) Uani 1 2 d SU
C21 C 0.5000 0.7261(8) 0.8420(9) 0.041(3) Uani 1 2 d SU
H61 H 0.5000 0.7537 0.8868 0.050 Uiso 1 2 calc SR
C22 C 0.5000 0.7620(8) 0.7729(9) 0.032(3) Uani 1 2 d SU
H60 H 0.5000 0.8112 0.7706 0.039 Uiso 1 2 calc SR
C23 C 0.5000 0.7186(7) 0.7041(8) 0.0299(14) Uani 1 2 d SU
C24 C 0.5000 0.6428(7) 0.7111(8) 0.0299(14) Uani 1 2 d SU
H24 H 0.5000 0.6148 0.6665 0.036 Uiso 1 2 calc SR
C25 C 0.5000 0.4889(7) 0.7443(9) 0.024(3) Uani 1 2 d SU
H25 H 0.5000 0.4974 0.6909 0.028 Uiso 1 2 calc SR
C26 C 0.5000 0.4190(7) 0.7791(9) 0.031(2) Uani 1 2 d SU
C27 C 0.5000 0.4146(7) 0.8600(8) 0.0299(14) Uani 1 2 d SU
C28 C 0.5000 0.3502(7) 0.8917(8) 0.0299(14) Uani 1 2 d SU
H28 H 0.5000 0.3458 0.9457 0.036 Uiso 1 2 calc SR
C29 C 0.5000 0.2885(7) 0.8453(9) 0.035(3) Uani 1 2 d SU
C30 C 0.5000 0.2941(10) 0.7678(10) 0.046(4) Uani 1 2 d SU
H30 H 0.5000 0.2529 0.7382 0.055 Uiso 1 2 calc SR
C31 C 0.5000 0.3580(7) 0.7301(10) 0.031(2) Uani 1 2 d SU
H31 H 0.5000 0.3614 0.6760 0.038 Uiso 1 2 calc SR
C32 C 0.5000 0.0359(14) 0.8013(13) 0.076(5) Uani 1 2 d SU
H34A H 0.4472 0.0629 0.7864 0.091 Uiso 0.50 1 calc PR
H34B H 0.5528 0.0629 0.7864 0.091 Uiso 0.50 1 calc PR
C33 C 0.5000 0.1276(15) 0.5289(13) 0.142(13) Uani 1 2 d SU
H35A H 0.4473 0.1209 0.4963 0.170 Uiso 0.50 1 calc PR
H35B H 0.5527 0.1209 0.4963 0.170 Uiso 0.50 1 calc PR
O3 O 0.5000 0.7128(6) 0.5735(7) 0.065(3) Uani 1 2 d SU
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'
Ru Ru -1.2594 0.8363 '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'
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_3
C27 Ru1 N1 77.9(5) .
C27 Ru1 O1 155.3(5) .
N1 Ru1 O1 77.4(5) .
C27 Ru1 Cl1 101.9(4) .
N1 Ru1 Cl1 179.8(4) .
O1 Ru1 Cl1 102.8(3) .
C27 Ru1 P1 91.46(6) .
N1 Ru1 P1 91.24(8) .
O1 Ru1 P1 89.07(5) .
Cl1 Ru1 P1 88.77(8) .
C27 Ru1 P1 91.46(6) 3_655
N1 Ru1 P1 91.24(8) 3_655
O1 Ru1 P1 89.07(5) 3_655
Cl1 Ru1 P1 88.77(8) 3_655
P1 Ru1 P1 176.52(15) 3_655
C2 P1 C7 105.9(5) .
C2 P1 C13 102.8(4) .
C7 P1 C13 102.1(5) .
C2 P1 Ru1 113.9(4) .
C7 P1 Ru1 116.6(3) .
C13 P1 Ru1 114.0(4) .
C20 O1 Ru1 115.1(9) .
C25 N1 C19 125.3(13) .
C25 N1 Ru1 119.5(10) .
C19 N1 Ru1 115.1(10) .
O3 N2 O2 122.1(13) .
O3 N2 C23 121.4(13) .
O2 N2 C23 116.5(12) .
C6 C1 C2 120.6(12) .
C6 C1 H1 119.7 .
C2 C1 H1 119.7 .
C3 C2 C1 115.6(11) .
C3 C2 P1 124.2(9) .
C1 C2 P1 120.1(9) .
C2 C3 C4 121.9(13) .
C2 C3 H3 119.0 .
C4 C3 H3 119.0 .
C5 C4 C3 119.5(13) .
C5 C4 H4 120.3 .
C3 C4 H4 120.3 .
C4 C5 C6 121.7(13) .
C4 C5 H5 119.1 .
C6 C5 H5 119.1 .
C5 C6 C1 120.7(13) .
C5 C6 H6 119.7 .
C1 C6 H6 119.7 .
C8 C7 C12 119.8(11) .
C8 C7 P1 117.4(8) .
C12 C7 P1 122.6(9) .
C7 C8 C9 122.7(13) .
C7 C8 H8 118.6 .
C9 C8 H8 118.6 .
C10 C9 C8 117.1(14) .
C10 C9 H9 121.4 .
C8 C9 H9 121.4 .
C11 C10 C9 119.5(11) .
C11 C10 H10 120.2 .
C9 C10 H10 120.2 .
C12 C11 C10 121.5(14) .
C12 C11 H11 119.3 .
C10 C11 H11 119.3 .
C11 C12 C7 119.0(14) .
C11 C12 H12 120.5 .
C7 C12 H12 120.5 .
C18 C13 C14 120.2(10) .
C18 C13 P1 122.9(8) .
C14 C13 P1 116.9(8) .
C13 C14 C15 117.2(11) .
C13 C14 H14 121.4 .
C15 C14 H14 121.4 .
C16 C15 C14 121.2(11) .
C16 C15 H15 119.4 .
C14 C15 H15 119.4 .
C15 C16 C17 120.6(12) .
C15 C16 H16 119.7 .
C17 C16 H16 119.7 .
C16 C17 C18 118.3(11) .
C16 C17 H17 120.9 .
C18 C17 H17 120.9 .
C13 C18 C17 122.4(10) .
C13 C18 H18 118.8 .
C17 C18 H18 118.8 .
C24 C19 N1 126.0(14) .
C24 C19 C20 119.8(12) .
N1 C19 C20 114.2(12) .
O1 C20 C21 125.3(13) .
O1 C20 C19 118.2(12) .
C21 C20 C19 116.5(13) .
C20 C21 C22 128.0(15) .
C20 C21 H61 116.0 .
C22 C21 H61 116.0 .
C21 C22 C23 115.4(13) .
C21 C22 H60 122.3 .
C23 C22 H60 122.3 .
C22 C23 N2 121.5(12) .
C22 C23 C24 120.0(13) .
N2 C23 C24 118.5(12) .
C19 C24 C23 120.3(13) .
C19 C24 H24 119.8 .
C23 C24 H24 119.8 .
N1 C25 C26 111.6(13) .
N1 C25 H25 124.2 .
C26 C25 H25 124.2 .
C27 C26 C31 122.7(14) .
C27 C26 C25 117.7(13) .
C31 C26 C25 119.6(13) .
C28 C27 C26 117.5(13) .
C28 C27 Ru1 129.2(11) .
C26 C27 Ru1 113.3(10) .
C27 C28 C29 121.5(13) .
C27 C28 H28 119.2 .
C29 C28 H28 119.2 .
C30 C29 C28 119.8(15) .
C30 C29 Cl2 120.8(12) .
C28 C29 Cl2 119.3(11) .
C29 C30 C31 122.7(16) .
C29 C30 H30 118.7 .
C31 C30 H30 118.7 .
C30 C31 C26 115.7(15) .
C30 C31 H31 122.1 .
C26 C31 H31 122.1 .
Cl4 C32 Cl3 112.2(15) .
Cl4 C32 H34A 109.2 .
Cl3 C32 H34A 109.2 .
Cl4 C32 H34B 109.2 .
Cl3 C32 H34B 109.2 .
H34A C32 H34B 107.9 .
Cl5 C33 Cl6 115.0(14) .
Cl5 C33 H35A 108.5 .
Cl6 C33 H35A 108.5 .
Cl5 C33 H35B 108.5 .
Cl6 C33 H35B 108.5 .
H35A C33 H35B 107.5 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C27 2.051(14) .
Ru1 N1 2.053(13) .
Ru1 O1 2.152(9) .
Ru1 Cl1 2.343(4) .
Ru1 P1 2.387(2) .
Ru1 P1 2.387(2) 3_655
Cl2 C29 1.734(15) .
Cl3 C32 1.75(2) .
Cl4 C32 1.73(2) .
Cl5 C33 1.56(3) .
Cl6 C33 1.83(3) .
P1 C2 1.792(12) .
P1 C7 1.848(9) .
P1 C13 1.853(11) .
O1 C20 1.254(18) .
O2 N2 1.221(18) .
N1 C25 1.32(2) .
N1 C19 1.40(2) .
N2 O3 1.174(17) .
N2 C23 1.40(2) .
C1 C6 1.378(19) .
C1 C2 1.447(18) .
C1 H1 0.9300 .
C2 C3 1.391(19) .
C3 C4 1.40(2) .
C3 H3 0.9300 .
C4 C5 1.35(2) .
C4 H4 0.9300 .
C5 C6 1.35(2) .
C5 H5 0.9300 .
C6 H6 0.9300 .
C7 C8 1.322(17) .
C7 C12 1.395(17) .
C8 C9 1.393(19) .
C8 H8 0.9300 .
C9 C10 1.38(2) .
C9 H9 0.9300 .
C10 C11 1.39(2) .
C10 H10 0.9300 .
C11 C12 1.336(19) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C13 C18 1.340(15) .
C13 C14 1.421(16) .
C14 C15 1.412(18) .
C14 H14 0.9300 .
C15 C16 1.357(19) .
C15 H15 0.9300 .
C16 C17 1.39(2) .
C16 H16 0.9300 .
C17 C18 1.386(16) .
C17 H17 0.9300 .
C18 H18 0.9300 .
C19 C24 1.37(2) .
C19 C20 1.46(2) .
C20 C21 1.34(2) .
C21 C22 1.36(2) .
C21 H61 0.9300 .
C22 C23 1.44(2) .
C22 H60 0.9300 .
C23 C24 1.44(2) .
C24 H24 0.9300 .
C25 C26 1.45(2) .
C25 H25 0.9300 .
C26 C27 1.39(2) .
C26 C31 1.43(2) .
C27 C28 1.33(2) .
C28 C29 1.41(2) .
C28 H28 0.9300 .
C29 C30 1.33(2) .
C30 C31 1.37(2) .
C30 H30 0.9300 .
C31 H31 0.9300 .
C32 H34A 0.9700 .
C32 H34B 0.9700 .
C33 H35A 0.9700 .
C33 H35B 0.9700 .
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
C27 Ru1 P1 C2 93.3(6) .
N1 Ru1 P1 C2 15.4(6) .
O1 Ru1 P1 C2 -62.0(5) .
Cl1 Ru1 P1 C2 -164.8(4) .
P1 Ru1 P1 C2 -120(2) 3_655
C27 Ru1 P1 C7 -30.4(6) .
N1 Ru1 P1 C7 -108.3(6) .
O1 Ru1 P1 C7 174.3(6) .
Cl1 Ru1 P1 C7 71.5(4) .
P1 Ru1 P1 C7 116(2) 3_655
C27 Ru1 P1 C13 -149.1(5) .
N1 Ru1 P1 C13 133.0(5) .
O1 Ru1 P1 C13 55.6(5) .
Cl1 Ru1 P1 C13 -47.2(4) .
P1 Ru1 P1 C13 -2(2) 3_655
C27 Ru1 O1 C20 0.000(7) .
N1 Ru1 O1 C20 0.000(5) .
Cl1 Ru1 O1 C20 180.000(5) .
P1 Ru1 O1 C20 91.47(8) .
P1 Ru1 O1 C20 -91.47(8) 3_655
C27 Ru1 N1 C25 0.000(5) .
O1 Ru1 N1 C25 180.000(5) .
Cl1 Ru1 N1 C25 0(34) .
P1 Ru1 N1 C25 91.23(5) .
P1 Ru1 N1 C25 -91.23(5) 3_655
C27 Ru1 N1 C19 180.000(5) .
O1 Ru1 N1 C19 0.000(4) .
Cl1 Ru1 N1 C19 180(34) .
P1 Ru1 N1 C19 -88.77(5) .
P1 Ru1 N1 C19 88.77(5) 3_655
C6 C1 C2 C3 -2.5(16) .
C6 C1 C2 P1 173.1(11) .
C7 P1 C2 C3 -124.3(11) .
C13 P1 C2 C3 -17.5(11) .
Ru1 P1 C2 C3 106.4(11) .
C7 P1 C2 C1 60.4(10) .
C13 P1 C2 C1 167.2(10) .
Ru1 P1 C2 C1 -68.9(9) .
C1 C2 C3 C4 2.1(18) .
P1 C2 C3 C4 -173.4(11) .
C2 C3 C4 C5 1(2) .
C3 C4 C5 C6 -3(3) .
C4 C5 C6 C1 3(2) .
C2 C1 C6 C5 0(2) .
C2 P1 C7 C8 -177.9(10) .
C13 P1 C7 C8 74.7(10) .
Ru1 P1 C7 C8 -50.2(11) .
C2 P1 C7 C12 -3.1(12) .
C13 P1 C7 C12 -110.4(11) .
Ru1 P1 C7 C12 124.7(10) .
C12 C7 C8 C9 3(2) .
P1 C7 C8 C9 178.0(10) .
C7 C8 C9 C10 -2(2) .
C8 C9 C10 C11 3(2) .
C9 C10 C11 C12 -6(3) .
C10 C11 C12 C7 7(3) .
C8 C7 C12 C11 -5(2) .
P1 C7 C12 C11 179.7(13) .
C2 P1 C13 C18 103.7(10) .
C7 P1 C13 C18 -146.7(9) .
Ru1 P1 C13 C18 -20.1(10) .
C2 P1 C13 C14 -73.4(10) .
C7 P1 C13 C14 36.2(10) .
Ru1 P1 C13 C14 162.8(8) .
C18 C13 C14 C15 0.2(18) .
P1 C13 C14 C15 177.4(9) .
C13 C14 C15 C16 -2.2(19) .
C14 C15 C16 C17 3(2) .
C15 C16 C17 C18 -2.2(18) .
C14 C13 C18 C17 0.7(18) .
P1 C13 C18 C17 -176.3(9) .
C16 C17 C18 C13 0.2(17) .
C25 N1 C19 C24 0.000(9) .
Ru1 N1 C19 C24 180.000(6) .
C25 N1 C19 C20 180.000(6) .
Ru1 N1 C19 C20 0.000(6) .
Ru1 O1 C20 C21 180.000(6) .
Ru1 O1 C20 C19 0.000(7) .
C24 C19 C20 O1 180.000(6) .
N1 C19 C20 O1 0.000(7) .
C24 C19 C20 C21 0.000(8) .
N1 C19 C20 C21 180.000(7) .
O1 C20 C21 C22 180.000(8) .
C19 C20 C21 C22 0.000(10) .
C20 C21 C22 C23 0.000(10) .
C21 C22 C23 N2 180.000(7) .
C21 C22 C23 C24 0.000(8) .
O3 N2 C23 C22 180.000(7) .
O2 N2 C23 C22 0.000(8) .
O3 N2 C23 C24 0.000(8) .
O2 N2 C23 C24 180.000(6) .
N1 C19 C24 C23 180.000(7) .
C20 C19 C24 C23 0.000(8) .
C22 C23 C24 C19 0.000(8) .
N2 C23 C24 C19 180.000(7) .
C19 N1 C25 C26 180.000(6) .
Ru1 N1 C25 C26 0.000(6) .
N1 C25 C26 C27 0.000(7) .
N1 C25 C26 C31 180.000(6) .
C31 C26 C27 C28 0.000(7) .
C25 C26 C27 C28 180.000(5) .
C31 C26 C27 Ru1 180.000(4) .
C25 C26 C27 Ru1 0.000(5) .
N1 Ru1 C27 C28 180.000(5) .
O1 Ru1 C27 C28 180.000(5) .
Cl1 Ru1 C27 C28 0.000(5) .
P1 Ru1 C27 C28 89.05(8) .
P1 Ru1 C27 C28 -89.05(8) 3_655
N1 Ru1 C27 C26 0.000(4) .
O1 Ru1 C27 C26 0.000(7) .
Cl1 Ru1 C27 C26 180.000(4) .
P1 Ru1 C27 C26 -90.95(8) .
P1 Ru1 C27 C26 90.95(8) 3_655
C26 C27 C28 C29 0.000(7) .
Ru1 C27 C28 C29 180.000(5) .
C27 C28 C29 C30 0.000(7) .
C27 C28 C29 Cl2 180.000(4) .
C28 C29 C30 C31 0.000(7) .
Cl2 C29 C30 C31 180.000(5) .
C29 C30 C31 C26 0.000(7) .
C27 C26 C31 C30 0.000(7) .
C25 C26 C31 C30 180.000(6) .
