#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/4/33/62/4336299.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_4336299
loop_
_publ_author_name
'Eran Fogler'
'Mark A. Iron'
'Jing Zhang'
'Yehoshoa Ben-David'
'Yael Diskin-Posner'
'Gregory Leitus'
'Linda J. W. Shimon'
'David Milstein'
_publ_section_title
;
 Ru(0) and Ru(II) Nitrosyl Pincer Complexes: Structure, Reactivity, and
 Catalytic Activity
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11469
_journal_page_last               11479
_journal_paper_doi               10.1021/ic401780p
_journal_volume                  52
_journal_year                    2013
_chemical_formula_moiety
'2(C18 H33 Cl2 N3 O P Ru), Cl5 N O Ru, 2(C H2 Cl2)'
_chemical_formula_sum            'C38 H70 Cl13 N7 O3 P2 Ru3'
_chemical_formula_weight         1499.01
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.6710(10)
_cell_angle_beta                 95.3230(10)
_cell_angle_gamma                106.7980(10)
_cell_formula_units_Z            1
_cell_length_a                   8.30100(10)
_cell_length_b                   10.90700(10)
_cell_length_c                   16.9480(2)
_cell_measurement_reflns_used    6388
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.00
_cell_volume                     1458.30(3)
_computing_cell_refinement       HKL
_computing_data_collection       'Collect package HKL'
_computing_data_reduction        HKL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker - Nonius Kappa CCD'
_diffrn_measurement_method       'phi and omega 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  0.033
_diffrn_reflns_av_sigmaI/netI    0.0326
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            6650
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.96
_exptl_absorpt_coefficient_mu    1.459
_exptl_absorpt_correction_T_max  0.8922
_exptl_absorpt_correction_T_min  0.5598
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SHELXL-97 (Sheldrick, 1997)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.707
_exptl_crystal_description       prism
_exptl_crystal_F_000             754
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.446
_refine_diff_density_min         -1.109
_refine_diff_density_rms         0.163
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.070
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     310
_refine_ls_number_reflns         6650
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.070
_refine_ls_R_factor_all          0.0410
_refine_ls_R_factor_gt           0.0332
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0358P)²+2.8613P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0783
_refine_ls_wR_factor_ref         0.0819
_reflns_number_gt                5781
_reflns_number_total             6650
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic401780p_si_002_2.cif
_cod_data_source_block           m1021new
_cod_original_sg_symbol_Hall     -P1
_cod_database_code               4336299
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru1 Ru 0.58920(3) 0.820529(19) 0.251114(12) 0.01004(7) Uani 1 1 d . . .
P1 P 0.72434(8) 1.03788(6) 0.22482(4) 0.01073(13) Uani 1 1 d . . .
N1 N 0.6571(3) 0.8999(2) 0.37102(13) 0.0108(4) Uani 1 1 d . . .
N2 N 0.4429(3) 0.6218(2) 0.28188(14) 0.0127(4) Uani 1 1 d . . .
C1 C 0.6953(3) 1.1144(2) 0.31808(16) 0.0130(5) Uani 1 1 d . . .
H1A H 0.7869 1.1963 0.3306 0.016 Uiso 1 1 calc R . .
H1B H 0.5861 1.1346 0.3121 0.016 Uiso 1 1 calc R . .
C2 C 0.6966(3) 1.0299(2) 0.38580(16) 0.0128(5) Uani 1 1 d . . .
C3 C 0.7352(4) 1.0863(3) 0.46284(17) 0.0159(5) Uani 1 1 d . . .
H3 H 0.7641 1.1770 0.4722 0.019 Uiso 1 1 calc R . .
C4 C 0.7313(4) 1.0103(3) 0.52589(17) 0.0184(6) Uani 1 1 d . . .
H4 H 0.7551 1.0478 0.5790 0.022 Uiso 1 1 calc R . .
C5 C 0.6922(4) 0.8789(3) 0.51053(17) 0.0168(6) Uani 1 1 d . . .
H5 H 0.6904 0.8253 0.5533 0.020 Uiso 1 1 calc R . .
C6 C 0.6558(3) 0.8252(2) 0.43284(16) 0.0129(5) Uani 1 1 d . . .
C7 C 0.6125(3) 0.6824(2) 0.41631(16) 0.0134(5) Uani 1 1 d . . .
H7A H 0.6161 0.6425 0.4675 0.016 Uiso 1 1 calc R . .
H7B H 0.6997 0.6629 0.3860 0.016 Uiso 1 1 calc R . .
C8 C 0.4395(3) 0.6221(3) 0.36991(17) 0.0152(5) Uani 1 1 d . . .
H8A H 0.3946 0.5325 0.3841 0.018 Uiso 1 1 calc R . .
H8B H 0.3612 0.6697 0.3858 0.018 Uiso 1 1 calc R . .
C9 C 0.9579(3) 1.0684(3) 0.22223(17) 0.0145(5) Uani 1 1 d . . .
C10 C 0.9896(4) 0.9832(3) 0.15289(17) 0.0168(6) Uani 1 1 d . . .
H10A H 1.0198 1.0349 0.1078 0.025 Uiso 1 1 calc R . .
H10B H 0.8867 0.9121 0.1366 0.025 Uiso 1 1 calc R . .
H10C H 1.0825 0.9486 0.1705 0.025 Uiso 1 1 calc R . .
C11 C 1.0319(3) 1.0381(3) 0.30313(17) 0.0154(5) Uani 1 1 d . . .
H11A H 1.1523 1.0460 0.3018 0.023 Uiso 1 1 calc R . .
H11B H 0.9714 0.9504 0.3142 0.023 Uiso 1 1 calc R . .
H11C H 1.0193 1.0988 0.3449 0.023 Uiso 1 1 calc R . .
C12 C 1.0515(4) 1.2101(3) 0.21333(18) 0.0195(6) Uani 1 1 d . . .
H12A H 1.1740 1.2229 0.2200 0.029 Uiso 1 1 calc R . .
H12B H 1.0224 1.2646 0.2539 0.029 Uiso 1 1 calc R . .
H12C H 1.0179 1.2332 0.1604 0.029 Uiso 1 1 calc R . .
C13 C 0.6376(4) 1.1228(3) 0.14440(16) 0.0153(5) Uani 1 1 d . . .
C14 C 0.7015(4) 1.0955(3) 0.06503(17) 0.0201(6) Uani 1 1 d . . .
H14A H 0.6708 1.0025 0.0523 0.030 Uiso 1 1 calc R . .
H14B H 0.8250 1.1318 0.0695 0.030 Uiso 1 1 calc R . .
H14C H 0.6497 1.1348 0.0228 0.030 Uiso 1 1 calc R . .
C15 C 0.6896(4) 1.2688(3) 0.16711(19) 0.0214(6) Uani 1 1 d . . .
H15A H 0.6384 1.3108 0.1262 0.032 Uiso 1 1 calc R . .
H15B H 0.8132 1.3037 0.1712 0.032 Uiso 1 1 calc R . .
H15C H 0.6503 1.2845 0.2183 0.032 Uiso 1 1 calc R . .
C16 C 0.4435(4) 1.0753(3) 0.13338(18) 0.0192(6) Uani 1 1 d . . .
H16A H 0.4000 1.0946 0.1828 0.029 Uiso 1 1 calc R . .
H16B H 0.4056 0.9823 0.1199 0.029 Uiso 1 1 calc R . .
H16C H 0.4008 1.1186 0.0904 0.029 Uiso 1 1 calc R . .
C17 C 0.2638(4) 0.5769(3) 0.24450(18) 0.0188(6) Uani 1 1 d . . .
H17A H 0.2619 0.5706 0.1865 0.028 Uiso 1 1 calc R . .
H17B H 0.2044 0.6381 0.2603 0.028 Uiso 1 1 calc R . .
H17C H 0.2076 0.4923 0.2622 0.028 Uiso 1 1 calc R . .
C18 C 0.5239(4) 0.5243(3) 0.25498(18) 0.0194(6) Uani 1 1 d . . .
H18A H 0.4542 0.4385 0.2651 0.029 Uiso 1 1 calc R . .
H18B H 0.6367 0.5420 0.2842 0.029 Uiso 1 1 calc R . .
H18C H 0.5340 0.5281 0.1979 0.029 Uiso 1 1 calc R . .
Cl1 Cl 0.49861(9) 0.74982(6) 0.11444(4) 0.01673(14) Uani 1 1 d . . .
Cl2 Cl 0.34370(8) 0.87792(6) 0.26662(4) 0.01456(13) Uani 1 1 d . . .
N3 N 0.7689(3) 0.7702(2) 0.24399(14) 0.0136(5) Uani 1 1 d . . .
O1 O 0.8802(3) 0.7291(2) 0.23734(13) 0.0206(4) Uani 1 1 d . . .
Ru2 Ru 1.0000 0.5000 0.5000 0.01214(8) Uani 1 2 d S . .
Cl3 Cl 0.71440(9) 0.40433(6) 0.44282(4) 0.02024(15) Uani 1 1 d . A .
Cl4 Cl 1.08636(8) 0.35716(6) 0.41441(4) 0.01671(14) Uani 1 1 d . A .
Cl5 Cl 1.0263(3) 0.64795(19) 0.40211(13) 0.01214(8) Uani 0.50 1 d P A 1
N4 N 1.0313(6) 0.6210(5) 0.4260(3) 0.01214(8) Uani 0.50 1 d P A 2
O2 O 1.0355(8) 0.6871(6) 0.3901(4) 0.0345(16) Uani 0.50 1 d P A 2
C19 C 0.7672(5) 0.5617(4) 0.0268(2) 0.0365(8) Uani 1 1 d . . .
H19A H 0.7506 0.4705 0.0094 0.044 Uiso 1 1 calc R . .
H19B H 0.6929 0.5642 0.0689 0.044 Uiso 1 1 calc R . .
Cl6 Cl 0.71068(14) 0.64162(9) -0.05411(5) 0.0396(2) Uani 1 1 d . . .
Cl7 Cl 0.98093(16) 0.63416(14) 0.06550(7) 0.0635(4) 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'
Cl Cl 0.1484 0.1585 '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'
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
N3 Ru1 N1 95.90(9) . .
N3 Ru1 N2 90.42(9) . .
N1 Ru1 N2 95.45(8) . .
N3 Ru1 Cl2 176.29(7) . .
N1 Ru1 Cl2 82.64(6) . .
N2 Ru1 Cl2 86.33(6) . .
N3 Ru1 Cl1 89.41(8) . .
N1 Ru1 Cl1 173.67(6) . .
N2 Ru1 Cl1 87.93(6) . .
Cl2 Ru1 Cl1 92.26(2) . .
N3 Ru1 P1 94.69(7) . .
N1 Ru1 P1 81.91(6) . .
N2 Ru1 P1 174.46(6) . .
Cl2 Ru1 P1 88.50(2) . .
Cl1 Ru1 P1 94.26(2) . .
C1 P1 C9 107.24(13) . .
C1 P1 C13 105.36(12) . .
C9 P1 C13 110.06(13) . .
C1 P1 Ru1 97.47(9) . .
C9 P1 Ru1 111.48(9) . .
C13 P1 Ru1 123.18(9) . .
C6 N1 C2 119.3(2) . .
C6 N1 Ru1 122.10(17) . .
C2 N1 Ru1 118.55(18) . .
C18 N2 C17 106.1(2) . .
C18 N2 C8 109.2(2) . .
C17 N2 C8 107.5(2) . .
C18 N2 Ru1 110.73(16) . .
C17 N2 Ru1 114.13(16) . .
C8 N2 Ru1 109.11(15) . .
C2 C1 P1 111.86(18) . .
C2 C1 H1A 109.2 . .
P1 C1 H1A 109.2 . .
C2 C1 H1B 109.2 . .
P1 C1 H1B 109.2 . .
H1A C1 H1B 107.9 . .
N1 C2 C3 121.0(2) . .
N1 C2 C1 120.2(2) . .
C3 C2 C1 118.8(2) . .
C4 C3 C2 119.7(2) . .
C4 C3 H3 120.1 . .
C2 C3 H3 120.1 . .
C3 C4 C5 119.0(3) . .
C3 C4 H4 120.5 . .
C5 C4 H4 120.5 . .
C4 C5 C6 120.0(3) . .
C4 C5 H5 120.0 . .
C6 C5 H5 120.0 . .
N1 C6 C5 120.9(2) . .
N1 C6 C7 119.1(2) . .
C5 C6 C7 119.9(2) . .
C6 C7 C8 113.7(2) . .
C6 C7 H7A 108.8 . .
C8 C7 H7A 108.8 . .
C6 C7 H7B 108.8 . .
C8 C7 H7B 108.8 . .
H7A C7 H7B 107.7 . .
N2 C8 C7 113.2(2) . .
N2 C8 H8A 108.9 . .
C7 C8 H8A 108.9 . .
N2 C8 H8B 108.9 . .
C7 C8 H8B 108.9 . .
H8A C8 H8B 107.7 . .
C12 C9 C11 105.4(2) . .
C12 C9 C10 109.5(2) . .
C11 C9 C10 111.5(2) . .
C12 C9 P1 112.92(19) . .
C11 C9 P1 107.79(18) . .
C10 C9 P1 109.62(18) . .
C9 C10 H10A 109.5 . .
C9 C10 H10B 109.5 . .
H10A C10 H10B 109.5 . .
C9 C10 H10C 109.5 . .
H10A C10 H10C 109.5 . .
H10B C10 H10C 109.5 . .
C9 C11 H11A 109.5 . .
C9 C11 H11B 109.5 . .
H11A C11 H11B 109.5 . .
C9 C11 H11C 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
C9 C12 H12A 109.5 . .
C9 C12 H12B 109.5 . .
H12A C12 H12B 109.5 . .
C9 C12 H12C 109.5 . .
H12A C12 H12C 109.5 . .
H12B C12 H12C 109.5 . .
C16 C13 C14 108.2(2) . .
C16 C13 C15 107.1(2) . .
C14 C13 C15 110.4(2) . .
C16 C13 P1 110.61(19) . .
C14 C13 P1 109.93(19) . .
C15 C13 P1 110.50(19) . .
C13 C14 H14A 109.5 . .
C13 C14 H14B 109.5 . .
H14A C14 H14B 109.5 . .
C13 C14 H14C 109.5 . .
H14A C14 H14C 109.5 . .
H14B C14 H14C 109.5 . .
C13 C15 H15A 109.5 . .
C13 C15 H15B 109.5 . .
H15A C15 H15B 109.5 . .
C13 C15 H15C 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C13 C16 H16A 109.5 . .
C13 C16 H16B 109.5 . .
H16A C16 H16B 109.5 . .
C13 C16 H16C 109.5 . .
H16A C16 H16C 109.5 . .
H16B C16 H16C 109.5 . .
N2 C17 H17A 109.5 . .
N2 C17 H17B 109.5 . .
H17A C17 H17B 109.5 . .
N2 C17 H17C 109.5 . .
H17A C17 H17C 109.5 . .
H17B C17 H17C 109.5 . .
N2 C18 H18A 109.5 . .
N2 C18 H18B 109.5 . .
H18A C18 H18B 109.5 . .
N2 C18 H18C 109.5 . .
H18A C18 H18C 109.5 . .
H18B C18 H18C 109.5 . .
O1 N3 Ru1 175.4(2) . .
N4 Ru2 N4 179.999(1) . 2_766
N4 Ru2 Cl5 177.00(18) . 2_766
N4 Ru2 Cl5 3.00(18) 2_766 2_766
N4 Ru2 Cl5 3.00(18) . .
N4 Ru2 Cl5 177.00(18) 2_766 .
Cl5 Ru2 Cl5 180.00(12) 2_766 .
N4 Ru2 Cl4 88.80(15) . 2_766
N4 Ru2 Cl4 91.20(15) 2_766 2_766
Cl5 Ru2 Cl4 90.60(6) 2_766 2_766
Cl5 Ru2 Cl4 89.40(6) . 2_766
N4 Ru2 Cl4 91.20(15) . .
N4 Ru2 Cl4 88.80(15) 2_766 .
Cl5 Ru2 Cl4 89.40(6) 2_766 .
Cl5 Ru2 Cl4 90.60(6) . .
Cl4 Ru2 Cl4 180.00(3) 2_766 .
N4 Ru2 Cl3 90.65(16) . .
N4 Ru2 Cl3 89.35(16) 2_766 .
Cl5 Ru2 Cl3 92.30(6) 2_766 .
Cl5 Ru2 Cl3 87.70(6) . .
Cl4 Ru2 Cl3 90.86(2) 2_766 .
Cl4 Ru2 Cl3 89.14(2) . .
N4 Ru2 Cl3 89.35(16) . 2_766
N4 Ru2 Cl3 90.65(16) 2_766 2_766
Cl5 Ru2 Cl3 87.70(6) 2_766 2_766
Cl5 Ru2 Cl3 92.30(6) . 2_766
Cl4 Ru2 Cl3 89.14(2) 2_766 2_766
Cl4 Ru2 Cl3 90.86(2) . 2_766
Cl3 Ru2 Cl3 179.999(1) . 2_766
O2 N4 Ru2 172.5(5) . .
Cl6 C19 Cl7 110.8(2) . .
Cl6 C19 H19A 109.5 . .
Cl7 C19 H19A 109.5 . .
Cl6 C19 H19B 109.5 . .
Cl7 C19 H19B 109.5 . .
H19A C19 H19B 108.1 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N3 1.744(2) .
Ru1 N1 2.130(2) .
Ru1 N2 2.268(2) .
Ru1 Cl2 2.3313(6) .
Ru1 Cl1 2.3877(7) .
Ru1 P1 2.3940(7) .
P1 C1 1.822(3) .
P1 C9 1.875(3) .
P1 C13 1.885(3) .
N1 C6 1.356(3) .
N1 C2 1.365(3) .
N2 C18 1.489(3) .
N2 C17 1.492(4) .
N2 C8 1.495(4) .
C1 C2 1.507(4) .
C1 H1A 0.9900 .
C1 H1B 0.9900 .
C2 C3 1.386(4) .
C3 C4 1.380(4) .
C3 H3 0.9500 .
C4 C5 1.382(4) .
C4 H4 0.9500 .
C5 C6 1.385(4) .
C5 H5 0.9500 .
C6 C7 1.501(4) .
C7 C8 1.520(4) .
C7 H7A 0.9900 .
C7 H7B 0.9900 .
C8 H8A 0.9900 .
C8 H8B 0.9900 .
C9 C12 1.538(4) .
C9 C11 1.539(4) .
C9 C10 1.553(4) .
C10 H10A 0.9800 .
C10 H10B 0.9800 .
C10 H10C 0.9800 .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C16 1.534(4) .
C13 C14 1.538(4) .
C13 C15 1.545(4) .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
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 .
N3 O1 1.150(3) .
Ru2 N4 1.843(6) .
Ru2 N4 1.843(6) 2_766
Ru2 Cl5 2.349(2) 2_766
Ru2 Cl5 2.349(2) .
Ru2 Cl4 2.3818(6) 2_766
Ru2 Cl4 2.3818(6) .
Ru2 Cl3 2.3871(7) .
Ru2 Cl3 2.3871(7) 2_766
N4 O2 0.960(7) .
C19 Cl6 1.757(4) .
C19 Cl7 1.769(4) .
C19 H19A 0.9900 .
C19 H19B 0.9900 .
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
N3 Ru1 P1 C1 -119.59(12)
N1 Ru1 P1 C1 -24.28(11)
Cl2 Ru1 P1 C1 58.50(9)
Cl1 Ru1 P1 C1 150.66(9)
N3 Ru1 P1 C9 -7.70(12)
N1 Ru1 P1 C9 87.61(11)
Cl2 Ru1 P1 C9 170.39(10)
Cl1 Ru1 P1 C9 -97.45(10)
N3 Ru1 P1 C13 126.53(13)
N1 Ru1 P1 C13 -138.16(12)
Cl2 Ru1 P1 C13 -55.38(11)
Cl1 Ru1 P1 C13 36.78(11)
N3 Ru1 N1 C6 -70.6(2)
N2 Ru1 N1 C6 20.4(2)
Cl2 Ru1 N1 C6 105.9(2)
P1 Ru1 N1 C6 -164.5(2)
N3 Ru1 N1 C2 112.0(2)
N2 Ru1 N1 C2 -157.05(19)
Cl2 Ru1 N1 C2 -71.48(18)
P1 Ru1 N1 C2 18.04(18)
N3 Ru1 N2 C18 -21.03(19)
N1 Ru1 N2 C18 -117.00(18)
Cl2 Ru1 N2 C18 160.76(18)
Cl1 Ru1 N2 C18 68.36(17)
N3 Ru1 N2 C17 -140.65(19)
N1 Ru1 N2 C17 123.38(19)
Cl2 Ru1 N2 C17 41.15(18)
Cl1 Ru1 N2 C17 -51.26(18)
N3 Ru1 N2 C8 99.15(17)
N1 Ru1 N2 C8 3.18(17)
Cl2 Ru1 N2 C8 -79.06(16)
Cl1 Ru1 N2 C8 -171.46(16)
C9 P1 C1 C2 -83.9(2)
C13 P1 C1 C2 158.86(19)
Ru1 P1 C1 C2 31.39(19)
C6 N1 C2 C3 0.0(4)
Ru1 N1 C2 C3 177.4(2)
C6 N1 C2 C1 -178.7(2)
Ru1 N1 C2 C1 -1.3(3)
P1 C1 C2 N1 -23.5(3)
P1 C1 C2 C3 157.7(2)
N1 C2 C3 C4 -1.0(4)
C1 C2 C3 C4 177.7(3)
C2 C3 C4 C5 1.4(4)
C3 C4 C5 C6 -0.7(4)
C2 N1 C6 C5 0.7(4)
Ru1 N1 C6 C5 -176.7(2)
C2 N1 C6 C7 -179.9(2)
Ru1 N1 C6 C7 2.7(3)
C4 C5 C6 N1 -0.3(4)
C4 C5 C6 C7 -179.7(3)
N1 C6 C7 C8 -57.9(3)
C5 C6 C7 C8 121.5(3)
C18 N2 C8 C7 72.9(3)
C17 N2 C8 C7 -172.5(2)
Ru1 N2 C8 C7 -48.3(2)
C6 C7 C8 N2 87.3(3)
C1 P1 C9 C12 -69.0(2)
C13 P1 C9 C12 45.1(2)
Ru1 P1 C9 C12 -174.58(17)
C1 P1 C9 C11 47.1(2)
C13 P1 C9 C11 161.17(18)
Ru1 P1 C9 C11 -58.51(19)
C1 P1 C9 C10 168.63(18)
C13 P1 C9 C10 -77.3(2)
Ru1 P1 C9 C10 63.1(2)
C1 P1 C13 C16 -77.3(2)
C9 P1 C13 C16 167.35(19)
Ru1 P1 C13 C16 32.6(2)
C1 P1 C13 C14 163.25(19)
C9 P1 C13 C14 47.9(2)
Ru1 P1 C13 C14 -86.8(2)
C1 P1 C13 C15 41.1(2)
C9 P1 C13 C15 -74.2(2)
Ru1 P1 C13 C15 151.02(16)
