#------------------------------------------------------------------------------
#$Date: 2025-01-06 14:31:52 +0200 (Mon, 06 Jan 2025) $
#$Revision: 297119 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/71/74/7717485.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_7717485
loop_
_publ_author_name
'Ziółkowska, Aleksandra'
'Kruczyński, Tomasz'
'Gudat, Dietrich'
'Ponikiewski, Łukasz'
_publ_section_title
;
 Phosphanylphosphaalkenes as precursors for metallaphosphaalkene
 complexes.
;
_journal_issue                   48
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              19107
_journal_page_last               19111
_journal_paper_doi               10.1039/d4dt03012e
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C18 H34 Cl3 N2 P Ru'
_chemical_formula_sum            'C18 H34 Cl3 N2 P Ru'
_chemical_formula_weight         516.86
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_audit_conform_dict_location     ftp://ftp.iucr.org/pub/cif_core.dic
_audit_conform_dict_name         cif_core.dic
_audit_conform_dict_version      2.4.3
_audit_creation_date             2024-07-18T13:39:06-00:00
_audit_creation_method           'WinGX routine CIF_UPDATE'
_audit_update_record
;
2024-09-23 deposited with the CCDC.	2024-11-13 downloaded from the CCDC.
;
_cell_angle_alpha                94.140(4)
_cell_angle_beta                 94.656(4)
_cell_angle_gamma                98.498(4)
_cell_formula_units_Z            2
_cell_length_a                   7.4357(4)
_cell_length_b                   11.5604(6)
_cell_length_c                   13.4708(6)
_cell_measurement_reflns_used    22948
_cell_measurement_temperature    120(2)
_cell_measurement_theta_max      67.54
_cell_measurement_theta_min      3.30
_cell_measurement_wavelength     1.54186
_cell_volume                     1137.28(10)
_computing_cell_refinement
;
X-Area Recipe 1.34.0.0 (STOE, 2019)
;
_computing_data_collection
;
X-Area WinXpose 2.0.22.0 (STOE, 2016)
;
_computing_data_reduction
;
X-Area Integrate 1.77.0.0 (STOE, 2019)
X-Area LANA 1.77.1.0 (STOE, 2019)
;
_computing_molecular_graphics    'Ortep for Windows (Farrugia, 2012)'
_computing_publication_material  'WinGX publication routines (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/1 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXT 2014/5 (Sheldrick, 2014)'
_diffrn_ambient_temperature      120(2)
_diffrn_detector                 'image plate (34 cm diameter)'
_diffrn_detector_area_resol_mean 6.67
_diffrn_detector_type            'STOE Imaging Plate'
_diffrn_measured_fraction_theta_full 0.961
_diffrn_measured_fraction_theta_max 0.961
_diffrn_measurement_details      ' 1311 frames, detector distance = 45 mm'
_diffrn_measurement_device       '2-circle diffractometer'
_diffrn_measurement_device_type  'STOE IPDS 2T'
_diffrn_measurement_method       'rotation method, ω scans'
_diffrn_radiation_collimation    '0.6 mm diameter'
_diffrn_radiation_monochromator  'parabolic x-ray mirror'
_diffrn_radiation_polarisn_norm  270
_diffrn_radiation_probe          x-ray
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54186
_diffrn_reflns_av_R_equivalents  0.0304
_diffrn_reflns_av_unetI/netI     0.0239
_diffrn_reflns_Laue_measured_fraction_full 0.961
_diffrn_reflns_Laue_measured_fraction_max 0.961
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -8
_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            12033
_diffrn_reflns_point_group_measured_fraction_full 0.961
_diffrn_reflns_point_group_measured_fraction_max 0.961
_diffrn_reflns_theta_full        65.994
_diffrn_reflns_theta_max         65.994
_diffrn_reflns_theta_min         3.304
_diffrn_source                   'GeniX Cu, 0.05 x 0.05 mm2 microfocus'
_diffrn_source_current           0.600
_diffrn_source_power             0.030
_diffrn_source_voltage           50
_exptl_absorpt_coefficient_mu    9.512
_exptl_absorpt_correction_T_max  0.5888
_exptl_absorpt_correction_T_min  0.1879
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
STOE X-Red32, absorption correction by Gaussian integration, analogous to
P. Coppens, "The Evaluation of Absorption and Extinction in Single-Crystal
Structure Analysis", published in: F. R. Ahmed (Editor), "Crystallographic
Computing", Munksgaard, Copenhagen (1970), 255 - 270. Afterwards scaling of
reflection intensities was performed within STOE LANA. J. Koziskova, F. Hahn,
J. Richter, J. Kozisek, Acta Chimica Slovaca, vol. 9, no. 2, 2016, pp. 136-140.
;
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.509
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       plate
_exptl_crystal_F_000             532
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.061
_refine_diff_density_min         -1.186
_refine_diff_density_rms         0.167
_refine_ls_extinction_coef       0.0025(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2018/1 (Sheldrick 2018)'
_refine_ls_goodness_of_fit_ref   1.131
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_constraints    0
_refine_ls_number_parameters     205
_refine_ls_number_reflns         3811
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.131
_refine_ls_R_factor_all          0.0644
_refine_ls_R_factor_gt           0.0544
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0614P)²+9.7638P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1403
_refine_ls_wR_factor_ref         0.1528
_reflns_Friedel_coverage         0
_reflns_number_gt                3378
_reflns_number_total             3811
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d4dt03012e2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7717484--7717490.cif.'
_cod_database_code               7717485
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_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 0.34491(6) 0.61755(4) 0.33635(4) 0.0250(2) Uani 1 1 d . . . . .
Cl1 Cl 0.5861(2) 0.54588(17) 0.25251(15) 0.0388(5) Uani 1 1 d . . . . .
Cl2 Cl 0.5889(2) 0.74042(16) 0.44111(14) 0.0408(5) Uani 1 1 d . . . . .
Cl3 Cl 0.1277(2) 0.74894(15) 0.12999(12) 0.0337(4) Uani 1 1 d . . . . .
P1 P 0.3584(2) 0.77255(15) 0.23586(12) 0.0253(4) Uani 1 1 d . . . . .
N1 N 0.5152(9) 0.7945(6) 0.1561(5) 0.0422(16) Uani 1 1 d . . . . .
N2 N 0.3594(8) 0.9025(5) 0.2896(4) 0.0307(13) Uani 1 1 d . . . . .
C1 C 0.1634(9) 0.4496(6) 0.2853(5) 0.0274(6) Uani 1 1 d . . . . .
C2 C 0.0582(9) 0.5423(6) 0.2838(5) 0.0274(6) Uani 1 1 d . . . . .
H2 H -0.013255 0.552858 0.224427 0.033 Uiso 1 1 calc R U . . .
C3 C 0.0595(9) 0.6201(6) 0.3717(5) 0.0274(6) Uani 1 1 d . . . . .
H3 H -0.01109 0.682091 0.36932 0.033 Uiso 1 1 calc R U . . .
C4 C 0.1621(8) 0.6072(6) 0.4614(5) 0.0274(6) Uani 1 1 d . . . . .
C5 C 0.2619(9) 0.5093(6) 0.4647(5) 0.0274(6) Uani 1 1 d . . . . .
H5 H 0.328022 0.496509 0.525208 0.033 Uiso 1 1 calc R U . . .
C6 C 0.2616(9) 0.4330(6) 0.3788(5) 0.0274(6) Uani 1 1 d . . . . .
H6 H 0.327605 0.368833 0.382277 0.033 Uiso 1 1 calc R U . . .
C7 C 0.1681(10) 0.3664(6) 0.1958(5) 0.0325(16) Uani 1 1 d . . . . .
H7 H 0.296118 0.34958 0.194804 0.039 Uiso 1 1 calc R U . . .
C8 C 0.0443(12) 0.2494(7) 0.2074(6) 0.045(2) Uani 1 1 d . . . . .
H8A H 0.081176 0.219469 0.270945 0.067 Uiso 1 1 calc R U . . .
H8B H 0.056304 0.191959 0.15206 0.067 Uiso 1 1 calc R U . . .
H8C H -0.083026 0.262437 0.206477 0.067 Uiso 1 1 calc R U . . .
C9 C 0.1157(12) 0.4116(7) 0.0963(5) 0.0419(19) Uani 1 1 d . . . . .
H9A H -0.013114 0.421863 0.092402 0.063 Uiso 1 1 calc R U . . .
H9B H 0.134426 0.354985 0.041846 0.063 Uiso 1 1 calc R U . . .
H9C H 0.191805 0.487107 0.090435 0.063 Uiso 1 1 calc R U . . .
C10 C 0.1719(11) 0.6891(7) 0.5528(6) 0.043(2) Uani 1 1 d . . . . .
H10A H 0.296157 0.732425 0.56673 0.065 Uiso 1 1 calc R U . . .
H10B H 0.140235 0.644332 0.609681 0.065 Uiso 1 1 calc R U . . .
H10C H 0.085871 0.744595 0.542319 0.065 Uiso 1 1 calc R U . . .
C11 C 0.5082(14) 0.7095(8) 0.0672(7) 0.054(2) Uani 1 1 d . . . . .
H11A H 0.415035 0.640519 0.073794 0.065 Uiso 1 1 calc R U . . .
H11B H 0.627872 0.681875 0.065618 0.065 Uiso 1 1 calc R U . . .
C12 C 0.4630(18) 0.7609(10) -0.0311(8) 0.075(3) Uani 1 1 d . . . . .
H12A H 0.340577 0.782979 -0.032237 0.112 Uiso 1 1 calc R U . . .
H12B H 0.466527 0.702274 -0.086915 0.112 Uiso 1 1 calc R U . . .
H12C H 0.552667 0.830532 -0.037378 0.112 Uiso 1 1 calc R U . . .
C13 C 0.7003(11) 0.8478(8) 0.1988(9) 0.060(3) Uani 1 1 d . . . . .
H13A H 0.775347 0.785119 0.20986 0.073 Uiso 1 1 calc R U . . .
H13B H 0.692926 0.890661 0.264291 0.073 Uiso 1 1 calc R U . . .
C14 C 0.7932(13) 0.9339(10) 0.1279(11) 0.089(5) Uani 1 1 d . . . . .
H14A H 0.813684 0.889899 0.065995 0.133 Uiso 1 1 calc R U . . .
H14B H 0.910459 0.97404 0.16085 0.133 Uiso 1 1 calc R U . . .
H14C H 0.7139 0.992016 0.112312 0.133 Uiso 1 1 calc R U . . .
C15 C 0.3651(10) 1.0072(6) 0.2290(5) 0.0336(16) Uani 1 1 d . . . . .
H15A H 0.240784 1.027867 0.218717 0.04 Uiso 1 1 calc R U . . .
H15B H 0.405291 0.986759 0.16257 0.04 Uiso 1 1 calc R U . . .
C16 C 0.4939(14) 1.1124(7) 0.2802(6) 0.051(2) Uani 1 1 d . . . . .
H16A H 0.448574 1.137025 0.343438 0.076 Uiso 1 1 calc R U . . .
H16B H 0.500579 1.177034 0.23678 0.076 Uiso 1 1 calc R U . . .
H16C H 0.615768 1.091012 0.293476 0.076 Uiso 1 1 calc R U . . .
C17 C 0.2939(15) 0.9210(8) 0.3884(6) 0.055(3) Uani 1 1 d . . . . .
H17A H 0.376995 0.986197 0.427599 0.066 Uiso 1 1 calc R U . . .
H17B H 0.298238 0.84936 0.423958 0.066 Uiso 1 1 calc R U . . .
C18 C 0.102(2) 0.9495(12) 0.3835(10) 0.107(6) Uani 1 1 d . . . . .
H18A H 0.100806 1.027828 0.360357 0.161 Uiso 1 1 calc R U . . .
H18B H 0.057721 0.947681 0.450147 0.161 Uiso 1 1 calc R U . . .
H18C H 0.021568 0.891293 0.336936 0.161 Uiso 1 1 calc R U . . .
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
C C 0.0181 0.0091 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
H H 0 0 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
P P 0.2955 0.4335 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Ru Ru 0.0552 3.296 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
loop_
_exptl_crystal_face_index_h
_exptl_crystal_face_index_k
_exptl_crystal_face_index_l
_exptl_crystal_face_perp_dist
3 5 2 0.0480
-2 -6 -1 0.0250
-3 5 -2 0.0380
3 -4 2 0.0650
-1 0 4 0.0320
1 0 -3 0.0150
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
C3 Ru1 C2 37.7(2) . . ?
C3 Ru1 C1 67.6(2) . . ?
C2 Ru1 C1 37.2(3) . . ?
C3 Ru1 C4 36.7(2) . . ?
C2 Ru1 C4 67.5(2) . . ?
C1 Ru1 C4 80.4(2) . . ?
C3 Ru1 C6 77.8(3) . . ?
C2 Ru1 C6 66.3(2) . . ?
C1 Ru1 C6 37.6(2) . . ?
C4 Ru1 C6 66.4(2) . . ?
C3 Ru1 C5 65.8(2) . . ?
C2 Ru1 C5 78.4(2) . . ?
C1 Ru1 C5 67.0(2) . . ?
C4 Ru1 C5 37.2(3) . . ?
C6 Ru1 C5 36.0(2) . . ?
C3 Ru1 P1 96.04(19) . . ?
C2 Ru1 P1 95.14(18) . . ?
C1 Ru1 P1 119.53(18) . . ?
C4 Ru1 P1 120.73(19) . . ?
C6 Ru1 P1 156.94(18) . . ?
C5 Ru1 P1 157.79(18) . . ?
C3 Ru1 Cl1 155.69(18) . . ?
C2 Ru1 Cl1 118.35(18) . . ?
C1 Ru1 Cl1 89.03(18) . . ?
C4 Ru1 Cl1 149.20(19) . . ?
C6 Ru1 Cl1 87.69(18) . . ?
C5 Ru1 Cl1 112.18(18) . . ?
P1 Ru1 Cl1 89.66(6) . . ?
C3 Ru1 Cl2 118.78(18) . . ?
C2 Ru1 Cl2 156.46(19) . . ?
C1 Ru1 Cl2 154.51(19) . . ?
C4 Ru1 Cl2 92.05(17) . . ?
C6 Ru1 Cl2 117.26(17) . . ?
C5 Ru1 Cl2 92.36(17) . . ?
P1 Ru1 Cl2 85.29(6) . . ?
Cl1 Ru1 Cl2 85.17(7) . . ?
N2 P1 N1 103.2(3) . . ?
N2 P1 Cl3 103.6(2) . . ?
N1 P1 Cl3 97.2(3) . . ?
N2 P1 Ru1 117.6(2) . . ?
N1 P1 Ru1 121.7(2) . . ?
Cl3 P1 Ru1 110.43(9) . . ?
C13 N1 C11 115.1(7) . . ?
C13 N1 P1 116.5(6) . . ?
C11 N1 P1 119.3(6) . . ?
C17 N2 C15 114.1(6) . . ?
C17 N2 P1 122.1(5) . . ?
C15 N2 P1 120.6(5) . . ?
C2 C1 C6 117.9(6) . . ?
C2 C1 C7 122.5(6) . . ?
C6 C1 C7 119.6(6) . . ?
C2 C1 Ru1 71.2(4) . . ?
C6 C1 Ru1 72.6(4) . . ?
C7 C1 Ru1 129.7(5) . . ?
C1 C2 C3 120.2(6) . . ?
C1 C2 Ru1 71.6(4) . . ?
C3 C2 Ru1 71.1(4) . . ?
C1 C2 H2 119.9 . . ?
C3 C2 H2 119.9 . . ?
Ru1 C2 H2 129.8 . . ?
C4 C3 C2 121.9(7) . . ?
C4 C3 Ru1 72.9(4) . . ?
C2 C3 Ru1 71.2(4) . . ?
C4 C3 H3 119.1 . . ?
C2 C3 H3 119.1 . . ?
Ru1 C3 H3 129.4 . . ?
C3 C4 C5 118.1(6) . . ?
C3 C4 C10 123.2(7) . . ?
C5 C4 C10 118.7(6) . . ?
C3 C4 Ru1 70.4(4) . . ?
C5 C4 Ru1 72.6(4) . . ?
C10 C4 Ru1 128.3(5) . . ?
C6 C5 C4 120.3(6) . . ?
C6 C5 Ru1 71.3(4) . . ?
C4 C5 Ru1 70.3(4) . . ?
C6 C5 H5 119.9 . . ?
C4 C5 H5 119.9 . . ?
Ru1 C5 H5 131.4 . . ?
C5 C6 C1 121.6(7) . . ?
C5 C6 Ru1 72.7(4) . . ?
C1 C6 Ru1 69.9(4) . . ?
C5 C6 H6 119.2 . . ?
C1 C6 H6 119.2 . . ?
Ru1 C6 H6 131 . . ?
C1 C7 C9 115.1(6) . . ?
C1 C7 C8 109.2(6) . . ?
C9 C7 C8 109.9(7) . . ?
C1 C7 H7 107.5 . . ?
C9 C7 H7 107.5 . . ?
C8 C7 H7 107.5 . . ?
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 . . ?
C7 C9 H9A 109.5 . . ?
C7 C9 H9B 109.5 . . ?
H9A C9 H9B 109.5 . . ?
C7 C9 H9C 109.5 . . ?
H9A C9 H9C 109.5 . . ?
H9B C9 H9C 109.5 . . ?
C4 C10 H10A 109.5 . . ?
C4 C10 H10B 109.5 . . ?
H10A C10 H10B 109.5 . . ?
C4 C10 H10C 109.5 . . ?
H10A C10 H10C 109.5 . . ?
H10B C10 H10C 109.5 . . ?
N1 C11 C12 113.3(8) . . ?
N1 C11 H11A 108.9 . . ?
C12 C11 H11A 108.9 . . ?
N1 C11 H11B 108.9 . . ?
C12 C11 H11B 108.9 . . ?
H11A C11 H11B 107.7 . . ?
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 . . ?
N1 C13 C14 111.1(9) . . ?
N1 C13 H13A 109.4 . . ?
C14 C13 H13A 109.4 . . ?
N1 C13 H13B 109.4 . . ?
C14 C13 H13B 109.4 . . ?
H13A C13 H13B 108 . . ?
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 . . ?
N2 C15 C16 111.7(6) . . ?
N2 C15 H15A 109.3 . . ?
C16 C15 H15A 109.3 . . ?
N2 C15 H15B 109.3 . . ?
C16 C15 H15B 109.3 . . ?
H15A C15 H15B 107.9 . . ?
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 . . ?
N2 C17 C18 113.1(8) . . ?
N2 C17 H17A 109 . . ?
C18 C17 H17A 109 . . ?
N2 C17 H17B 109 . . ?
C18 C17 H17B 109 . . ?
H17A C17 H17B 107.8 . . ?
C17 C18 H18A 109.5 . . ?
C17 C18 H18B 109.5 . . ?
H18A C18 H18B 109.5 . . ?
C17 C18 H18C 109.5 . . ?
H18A C18 H18C 109.5 . . ?
H18B C18 H18C 109.5 . . ?
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 C3 2.217(7) . ?
Ru1 C2 2.218(6) . ?
Ru1 C1 2.224(6) . ?
Ru1 C4 2.248(6) . ?
Ru1 C6 2.260(7) . ?
Ru1 C5 2.279(7) . ?
Ru1 P1 2.3179(17) . ?
Ru1 Cl1 2.4106(18) . ?
Ru1 Cl2 2.4154(16) . ?
Cl3 P1 2.112(2) . ?
P1 N2 1.619(6) . ?
P1 N1 1.653(6) . ?
N1 C13 1.474(11) . ?
N1 C11 1.486(11) . ?
N2 C17 1.466(10) . ?
N2 C15 1.506(9) . ?
C1 C2 1.417(10) . ?
C1 C6 1.444(10) . ?
C1 C7 1.493(10) . ?
C2 C3 1.433(10) . ?
C2 H2 0.95 . ?
C3 C4 1.405(10) . ?
C3 H3 0.95 . ?
C4 C5 1.443(10) . ?
C4 C10 1.489(10) . ?
C5 C6 1.403(10) . ?
C5 H5 0.95 . ?
C6 H6 0.95 . ?
C7 C9 1.515(10) . ?
C7 C8 1.545(10) . ?
C7 H7 1 . ?
C8 H8A 0.98 . ?
C8 H8B 0.98 . ?
C8 H8C 0.98 . ?
C9 H9A 0.98 . ?
C9 H9B 0.98 . ?
C9 H9C 0.98 . ?
C10 H10A 0.98 . ?
C10 H10B 0.98 . ?
C10 H10C 0.98 . ?
C11 C12 1.523(13) . ?
C11 H11A 0.99 . ?
C11 H11B 0.99 . ?
C12 H12A 0.98 . ?
C12 H12B 0.98 . ?
C12 H12C 0.98 . ?
C13 C14 1.556(12) . ?
C13 H13A 0.99 . ?
C13 H13B 0.99 . ?
C14 H14A 0.98 . ?
C14 H14B 0.98 . ?
C14 H14C 0.98 . ?
C15 C16 1.516(10) . ?
C15 H15A 0.99 . ?
C15 H15B 0.99 . ?
C16 H16A 0.98 . ?
C16 H16B 0.98 . ?
C16 H16C 0.98 . ?
C17 C18 1.511(17) . ?
C17 H17A 0.99 . ?
C17 H17B 0.99 . ?
C18 H18A 0.98 . ?
C18 H18B 0.98 . ?
C18 H18C 0.98 . ?
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
N2 P1 N1 C13 57.6(6) . . . . ?
Cl3 P1 N1 C13 163.5(6) . . . . ?
Ru1 P1 N1 C13 -77.1(6) . . . . ?
N2 P1 N1 C11 -156.9(6) . . . . ?
Cl3 P1 N1 C11 -51.0(6) . . . . ?
Ru1 P1 N1 C11 68.4(7) . . . . ?
N1 P1 N2 C17 -157.3(7) . . . . ?
Cl3 P1 N2 C17 101.8(6) . . . . ?
Ru1 P1 N2 C17 -20.3(7) . . . . ?
N1 P1 N2 C15 43.9(6) . . . . ?
Cl3 P1 N2 C15 -57.0(5) . . . . ?
Ru1 P1 N2 C15 -179.1(4) . . . . ?
C6 C1 C2 C3 3.4(9) . . . . ?
C7 C1 C2 C3 -179.6(6) . . . . ?
Ru1 C1 C2 C3 -54.0(5) . . . . ?
C6 C1 C2 Ru1 57.4(5) . . . . ?
C7 C1 C2 Ru1 -125.6(6) . . . . ?
C1 C2 C3 C4 -0.5(9) . . . . ?
Ru1 C2 C3 C4 -54.7(5) . . . . ?
C1 C2 C3 Ru1 54.3(5) . . . . ?
C2 C3 C4 C5 -2.7(9) . . . . ?
Ru1 C3 C4 C5 -56.6(5) . . . . ?
C2 C3 C4 C10 177.6(6) . . . . ?
Ru1 C3 C4 C10 123.6(6) . . . . ?
C2 C3 C4 Ru1 54.0(5) . . . . ?
C3 C4 C5 C6 2.8(9) . . . . ?
C10 C4 C5 C6 -177.5(6) . . . . ?
Ru1 C4 C5 C6 -52.8(5) . . . . ?
C3 C4 C5 Ru1 55.6(5) . . . . ?
C10 C4 C5 Ru1 -124.7(6) . . . . ?
C4 C5 C6 C1 0.2(9) . . . . ?
Ru1 C5 C6 C1 -52.1(5) . . . . ?
C4 C5 C6 Ru1 52.3(5) . . . . ?
C2 C1 C6 C5 -3.3(9) . . . . ?
C7 C1 C6 C5 179.6(6) . . . . ?
Ru1 C1 C6 C5 53.4(5) . . . . ?
C2 C1 C6 Ru1 -56.7(5) . . . . ?
C7 C1 C6 Ru1 126.2(6) . . . . ?
C2 C1 C7 C9 22.1(9) . . . . ?
C6 C1 C7 C9 -161.0(6) . . . . ?
Ru1 C1 C7 C9 -69.7(9) . . . . ?
C2 C1 C7 C8 -102.0(8) . . . . ?
C6 C1 C7 C8 74.9(8) . . . . ?
Ru1 C1 C7 C8 166.3(6) . . . . ?
C13 N1 C11 C12 -101.5(10) . . . . ?
P1 N1 C11 C12 112.5(8) . . . . ?
C11 N1 C13 C14 69.9(10) . . . . ?
P1 N1 C13 C14 -143.1(8) . . . . ?
C17 N2 C15 C16 61.5(9) . . . . ?
P1 N2 C15 C16 -138.2(6) . . . . ?
C15 N2 C17 C18 60.5(10) . . . . ?
P1 N2 C17 C18 -99.5(9) . . . . ?
