#------------------------------------------------------------------------------
#$Date: 2021-09-06 13:51:32 +0300 (Mon, 06 Sep 2021) $
#$Revision: 268699 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/70/77/7707789.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_7707789
loop_
_publ_author_name
'Nguyen, Duc Hanh'
'Merel, Delphine'
'Merle, Nicolas'
'Trivelli, Xavier'
'Capet, Frédéric'
'Gauvin, Régis M'
_publ_section_title
;
 Isonitrile ruthenium and iron PNP complexes: synthesis, characterization
 and catalytic assessment for base-free dehydrogenative coupling of
 alcohols.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10067
_journal_page_last               10081
_journal_paper_doi               10.1039/d1dt01722e
_journal_volume                  50
_journal_year                    2021
_chemical_formula_moiety         'C24 H45 Cl N2 P2 Ru'
_chemical_formula_sum            'C24 H45 Cl N2 P2 Ru'
_chemical_formula_weight         560.08
_chemical_name_systematic        '[Ru(H)(Cl)(PhCH2NC)(PNPH)]'
_chemical_properties_physical    Air-sensitive
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     dual
_audit_creation_date             2017-07-03
_audit_creation_method
;
Olex2 1.2
(compiled 2017.03.28 svn.r3405 for OlexSys, GUI svn.r5337)
;
_audit_update_record
;
2020-05-29 deposited with the CCDC.	2021-06-24 downloaded from the CCDC.
;
_cell_angle_alpha                95.338(2)
_cell_angle_beta                 100.577(2)
_cell_angle_gamma                101.593(2)
_cell_formula_units_Z            2
_cell_length_a                   8.3282(3)
_cell_length_b                   11.0727(3)
_cell_length_c                   15.3743(5)
_cell_measurement_reflns_used    9750
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      30.34
_cell_measurement_theta_min      2.48
_cell_volume                     1352.75(8)
_computing_cell_refinement       'SAINT v8.37A (Bruker, 2015)'
_computing_data_reduction        'SAINT v8.37A (Bruker, 2015)'
_computing_molecular_graphics    'Olex2 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 (Dolomanov et al., 2009)'
_computing_structure_refinement  'ShelXL (Sheldrick, 2015b)'
_computing_structure_solution    'XT (Sheldrick, 2015a)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 0.997
_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  0.0365
_diffrn_reflns_av_unetI/netI     0.0249
_diffrn_reflns_Laue_measured_fraction_full 1.000
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            64860
_diffrn_reflns_point_group_measured_fraction_full 1.000
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.481
_diffrn_reflns_theta_min         1.360
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.810
_exptl_absorpt_correction_T_max  0.7461
_exptl_absorpt_correction_T_min  0.6994
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
'SADABS-2016/2 (Bruker,2016/2) was used for absorption correction. wR2(int) was 0.0894 before and 0.0471 after correction. The Ratio of minimum to maximum transmission is 0.9374. The λ/2 correction factor is Not present.'
_exptl_crystal_colour            colourless
_exptl_crystal_colour_primary    colourless
_exptl_crystal_density_diffrn    1.375
_exptl_crystal_description       prism
_exptl_crystal_F_000             588
_exptl_crystal_recrystallization_method
'Re-crystallisation from solvent: toluene/pentane'
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.09
_refine_diff_density_max         0.494
_refine_diff_density_min         -0.912
_refine_diff_density_rms         0.074
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     287
_refine_ls_number_reflns         8202
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.055
_refine_ls_R_factor_all          0.0288
_refine_ls_R_factor_gt           0.0244
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0255P)²+0.8763P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0583
_refine_ls_wR_factor_ref         0.0603
_reflns_Friedel_coverage         0.000
_reflns_number_gt                7437
_reflns_number_total             8202
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            d1dt01722e2.cif
_cod_data_source_block           mo_dhng133_0m
_cod_depositor_comments
'Adding full bibliography for 7707785--7707792.cif.'
_cod_database_code               7707789
_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.
;
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups, All C(H,H) groups
 At 1.5 times of:
  All C(H,H,H) groups
2.a Ternary CH refined with riding coordinates:
 C1(H1A), C4(H4), C14(H14), C11(H11)
2.b Secondary CH2 refined with riding coordinates:
 C7(H7A,H7B), C10(H10A,H10B), C8(H8A,H8B), C9(H9A,H9B), C18(H18A,H18B)
2.c Aromatic/amide H refined with riding coordinates:
 C24(H24), C22(H22), C23(H23), C20(H20), C21(H21)
2.d Idealised Me refined as rotating group:
 C2(H2A,H2B,H2C), C6(H6A,H6B,H6C), C5(H5A,H5B,H5C), C3(H3A,H3B,H3C), C13(H13A,
 H13B,H13C), C12(H12A,H12B,H12C), C15(H15A,H15B,H15C), C16(H16A,H16B,H16C)
;
_olex2_submission_special_instructions 'No special instructions were received'
loop_
_space_group_symop_operation_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 0.70373(2) 0.65444(2) 0.20440(2) 0.01061(3) Uani 1 1 d . . . . .
P1 P 0.82031(5) 0.82477(3) 0.14124(2) 0.01170(7) Uani 1 1 d . . . . .
Cl1 Cl 0.42662(5) 0.63671(4) 0.09487(3) 0.02097(8) Uani 1 1 d . . . . .
P2 P 0.61856(5) 0.45702(4) 0.23963(3) 0.01395(7) Uani 1 1 d . . . . .
N1 N 0.76912(16) 0.55040(12) 0.09252(9) 0.0139(2) Uani 1 1 d . . . . .
N2 N 0.6237(2) 0.78427(14) 0.37064(10) 0.0253(3) Uani 1 1 d . . . . .
C7 C 0.86363(19) 0.74966(14) 0.03786(10) 0.0160(3) Uani 1 1 d . . . . .
H7A H 0.7658 0.7402 -0.0118 0.019 Uiso 1 1 calc R . . . .
H7B H 0.9613 0.8028 0.0216 0.019 Uiso 1 1 calc R . . . .
C1 C 0.68524(19) 0.92781(14) 0.09420(10) 0.0154(3) Uani 1 1 d . . . . .
H1A H 0.5941 0.8727 0.0473 0.018 Uiso 1 1 calc R . . . .
C4 C 1.02362(18) 0.93005(14) 0.19635(10) 0.0160(3) Uani 1 1 d . . . . .
H4 H 1.0514 0.9948 0.1569 0.019 Uiso 1 1 calc R . . . .
C10 C 0.6721(2) 0.35664(14) 0.15136(11) 0.0195(3) Uani 1 1 d . . . . .
H10A H 0.7082 0.2849 0.1763 0.023 Uiso 1 1 calc R . . . .
H10B H 0.5722 0.3243 0.1028 0.023 Uiso 1 1 calc R . . . .
C8 C 0.89950(19) 0.62248(14) 0.05166(10) 0.0169(3) Uani 1 1 d . . . . .
H8A H 0.9010 0.5765 -0.0065 0.020 Uiso 1 1 calc R . . . .
H8B H 1.0110 0.6329 0.0911 0.020 Uiso 1 1 calc R . . . .
C14 C 0.39033(19) 0.39250(14) 0.22325(11) 0.0188(3) Uani 1 1 d . . . . .
H14 H 0.3441 0.3954 0.1589 0.023 Uiso 1 1 calc R . . . .
C19 C 0.4577(2) 0.82005(14) 0.48384(10) 0.0171(3) Uani 1 1 d . . . . .
C2 C 0.5971(2) 0.98148(15) 0.16229(11) 0.0200(3) Uani 1 1 d . . . . .
H2A H 0.5507 0.9155 0.1949 0.030 Uiso 1 1 calc GR . . . .
H2B H 0.5064 1.0158 0.1313 0.030 Uiso 1 1 calc GR . . . .
H2C H 0.6778 1.0476 0.2044 0.030 Uiso 1 1 calc GR . . . .
C6 C 1.16470(19) 0.85904(16) 0.20902(11) 0.0218(3) Uani 1 1 d . . . . .
H6A H 1.1325 0.7875 0.2402 0.033 Uiso 1 1 calc GR . . . .
H6B H 1.2675 0.9144 0.2444 0.033 Uiso 1 1 calc GR . . . .
H6C H 1.1843 0.8298 0.1505 0.033 Uiso 1 1 calc GR . . . .
C9 C 0.8125(2) 0.43131(14) 0.11429(11) 0.0176(3) Uani 1 1 d . . . . .
H9A H 0.9190 0.4484 0.1590 0.021 Uiso 1 1 calc R . . . .
H9B H 0.8272 0.3831 0.0599 0.021 Uiso 1 1 calc R . . . .
C5 C 1.0103(2) 0.99606(16) 0.28604(11) 0.0210(3) Uani 1 1 d . . . . .
H5A H 0.9350 1.0532 0.2755 0.032 Uiso 1 1 calc GR . . . .
H5B H 1.1216 1.0431 0.3177 0.032 Uiso 1 1 calc GR . . . .
H5C H 0.9658 0.9342 0.3222 0.032 Uiso 1 1 calc GR . . . .
C17 C 0.65676(19) 0.73553(14) 0.30679(10) 0.0162(3) Uani 1 1 d . . . . .
C11 C 0.7163(2) 0.40848(15) 0.34518(11) 0.0197(3) Uani 1 1 d . . . . .
H11 H 0.6566 0.3216 0.3483 0.024 Uiso 1 1 calc R . . . .
C24 C 0.4539(2) 0.88904(15) 0.56368(10) 0.0187(3) Uani 1 1 d . . . . .
H24 H 0.5558 0.9266 0.6046 0.022 Uiso 1 1 calc R . . . .
C22 C 0.1530(2) 0.84914(17) 0.52448(12) 0.0260(4) Uani 1 1 d . . . . .
H22 H 0.0495 0.8591 0.5384 0.031 Uiso 1 1 calc R . . . .
C23 C 0.3025(2) 0.90333(16) 0.58380(11) 0.0227(3) Uani 1 1 d . . . . .
H23 H 0.3012 0.9505 0.6385 0.027 Uiso 1 1 calc R . . . .
C20 C 0.3077(2) 0.76649(16) 0.42491(11) 0.0233(3) Uani 1 1 d . . . . .
H20 H 0.3087 0.7196 0.3701 0.028 Uiso 1 1 calc R . . . .
C3 C 0.7713(2) 1.02947(16) 0.04619(11) 0.0229(3) Uani 1 1 d . . . . .
H3A H 0.8567 1.0905 0.0899 0.034 Uiso 1 1 calc GR . . . .
H3B H 0.6879 1.0710 0.0159 0.034 Uiso 1 1 calc GR . . . .
H3C H 0.8245 0.9919 0.0021 0.034 Uiso 1 1 calc GR . . . .
C13 C 0.9017(2) 0.40951(17) 0.34797(13) 0.0258(4) Uani 1 1 d . . . . .
H13A H 0.9107 0.3458 0.3015 0.039 Uiso 1 1 calc GR . . . .
H13B H 0.9534 0.3919 0.4066 0.039 Uiso 1 1 calc GR . . . .
H13C H 0.9594 0.4915 0.3375 0.039 Uiso 1 1 calc GR . . . .
C18 C 0.6251(2) 0.80547(17) 0.46473(11) 0.0226(3) Uani 1 1 d . . . . .
H18A H 0.7111 0.8816 0.4920 0.027 Uiso 1 1 calc R . . . .
H18B H 0.6572 0.7348 0.4931 0.027 Uiso 1 1 calc R . . . .
C21 C 0.1554(2) 0.78047(16) 0.44491(12) 0.0259(4) Uani 1 1 d . . . . .
H21 H 0.0534 0.7430 0.4040 0.031 Uiso 1 1 calc R . . . .
C12 C 0.7015(2) 0.49216(19) 0.42660(12) 0.0289(4) Uani 1 1 d . . . . .
H12A H 0.7635 0.5772 0.4261 0.043 Uiso 1 1 calc GR . . . .
H12B H 0.7482 0.4610 0.4811 0.043 Uiso 1 1 calc GR . . . .
H12C H 0.5832 0.4920 0.4249 0.043 Uiso 1 1 calc GR . . . .
C15 C 0.3034(2) 0.47436(18) 0.27509(13) 0.0286(4) Uani 1 1 d . . . . .
H15A H 0.3362 0.4700 0.3391 0.043 Uiso 1 1 calc GR . . . .
H15B H 0.1817 0.4451 0.2557 0.043 Uiso 1 1 calc GR . . . .
H15C H 0.3364 0.5606 0.2638 0.043 Uiso 1 1 calc GR . . . .
C16 C 0.3407(2) 0.25569(17) 0.23611(16) 0.0345(4) Uani 1 1 d . . . . .
H16A H 0.4009 0.2068 0.2027 0.052 Uiso 1 1 calc GR . . . .
H16B H 0.2197 0.2250 0.2141 0.052 Uiso 1 1 calc GR . . . .
H16C H 0.3696 0.2476 0.2997 0.052 Uiso 1 1 calc GR . . . .
H1 H 0.674(3) 0.5287(18) 0.0514(13) 0.020(5) Uiso 1 1 d . . . . .
H H 0.880(3) 0.659(2) 0.2622(14) 0.031(6) Uiso 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'
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
_geom_angle_publ_flag
P1 Ru1 Cl1 88.995(13) . . ?
P1 Ru1 H 89.4(8) . . ?
Cl1 Ru1 H 173.5(8) . . ?
P2 Ru1 P1 164.463(14) . . ?
P2 Ru1 Cl1 92.044(14) . . ?
P2 Ru1 H 87.8(8) . . ?
N1 Ru1 P1 82.71(3) . . ?
N1 Ru1 Cl1 84.05(4) . . ?
N1 Ru1 P2 81.98(3) . . ?
N1 Ru1 H 89.5(8) . . ?
C17 Ru1 P1 100.38(5) . . ?
C17 Ru1 Cl1 99.67(5) . . ?
C17 Ru1 P2 94.73(5) . . ?
C17 Ru1 N1 175.16(5) . . ?
C17 Ru1 H 86.8(8) . . ?
C7 P1 Ru1 102.10(5) . . ?
C7 P1 C1 100.76(7) . . ?
C7 P1 C4 103.99(7) . . ?
C1 P1 Ru1 119.45(5) . . ?
C4 P1 Ru1 121.61(5) . . ?
C4 P1 C1 105.54(7) . . ?
C10 P2 Ru1 103.23(5) . . ?
C10 P2 C14 100.79(7) . . ?
C10 P2 C11 104.23(7) . . ?
C14 P2 Ru1 117.59(5) . . ?
C14 P2 C11 106.24(7) . . ?
C11 P2 Ru1 121.69(6) . . ?
Ru1 N1 H1 104.2(13) . . ?
C8 N1 Ru1 115.11(9) . . ?
C8 N1 C9 110.34(11) . . ?
C8 N1 H1 108.0(13) . . ?
C9 N1 Ru1 112.99(9) . . ?
C9 N1 H1 105.4(12) . . ?
C17 N2 C18 154.34(16) . . ?
P1 C7 H7A 109.6 . . ?
P1 C7 H7B 109.6 . . ?
H7A C7 H7B 108.1 . . ?
C8 C7 P1 110.22(10) . . ?
C8 C7 H7A 109.6 . . ?
C8 C7 H7B 109.6 . . ?
P1 C1 H1A 105.6 . . ?
C2 C1 P1 112.72(10) . . ?
C2 C1 H1A 105.6 . . ?
C2 C1 C3 111.44(13) . . ?
C3 C1 P1 114.84(11) . . ?
C3 C1 H1A 105.6 . . ?
P1 C4 H4 108.1 . . ?
C6 C4 P1 111.18(11) . . ?
C6 C4 H4 108.1 . . ?
C5 C4 P1 110.41(10) . . ?
C5 C4 H4 108.1 . . ?
C5 C4 C6 110.73(13) . . ?
P2 C10 H10A 109.7 . . ?
P2 C10 H10B 109.7 . . ?
H10A C10 H10B 108.2 . . ?
C9 C10 P2 109.65(11) . . ?
C9 C10 H10A 109.7 . . ?
C9 C10 H10B 109.7 . . ?
N1 C8 C7 110.16(12) . . ?
N1 C8 H8A 109.6 . . ?
N1 C8 H8B 109.6 . . ?
C7 C8 H8A 109.6 . . ?
C7 C8 H8B 109.6 . . ?
H8A C8 H8B 108.1 . . ?
P2 C14 H14 105.2 . . ?
C15 C14 P2 112.68(11) . . ?
C15 C14 H14 105.2 . . ?
C15 C14 C16 112.15(15) . . ?
C16 C14 P2 115.24(12) . . ?
C16 C14 H14 105.2 . . ?
C24 C19 C18 118.91(15) . . ?
C20 C19 C24 118.82(15) . . ?
C20 C19 C18 122.28(14) . . ?
C1 C2 H2A 109.5 . . ?
C1 C2 H2B 109.5 . . ?
C1 C2 H2C 109.5 . . ?
H2A C2 H2B 109.5 . . ?
H2A C2 H2C 109.5 . . ?
H2B C2 H2C 109.5 . . ?
C4 C6 H6A 109.5 . . ?
C4 C6 H6B 109.5 . . ?
C4 C6 H6C 109.5 . . ?
H6A C6 H6B 109.5 . . ?
H6A C6 H6C 109.5 . . ?
H6B C6 H6C 109.5 . . ?
N1 C9 C10 109.02(12) . . ?
N1 C9 H9A 109.9 . . ?
N1 C9 H9B 109.9 . . ?
C10 C9 H9A 109.9 . . ?
C10 C9 H9B 109.9 . . ?
H9A C9 H9B 108.3 . . ?
C4 C5 H5A 109.5 . . ?
C4 C5 H5B 109.5 . . ?
C4 C5 H5C 109.5 . . ?
H5A C5 H5B 109.5 . . ?
H5A C5 H5C 109.5 . . ?
H5B C5 H5C 109.5 . . ?
N2 C17 Ru1 178.39(15) . . ?
P2 C11 H11 108.3 . . ?
C13 C11 P2 110.99(11) . . ?
C13 C11 H11 108.3 . . ?
C12 C11 P2 111.59(11) . . ?
C12 C11 H11 108.3 . . ?
C12 C11 C13 109.25(15) . . ?
C19 C24 H24 119.8 . . ?
C23 C24 C19 120.46(16) . . ?
C23 C24 H24 119.8 . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
C21 C22 C23 119.67(17) . . ?
C24 C23 H23 119.9 . . ?
C22 C23 C24 120.30(15) . . ?
C22 C23 H23 119.9 . . ?
C19 C20 H20 119.6 . . ?
C19 C20 C21 120.89(15) . . ?
C21 C20 H20 119.6 . . ?
C1 C3 H3A 109.5 . . ?
C1 C3 H3B 109.5 . . ?
C1 C3 H3C 109.5 . . ?
H3A C3 H3B 109.5 . . ?
H3A C3 H3C 109.5 . . ?
H3B C3 H3C 109.5 . . ?
C11 C13 H13A 109.5 . . ?
C11 C13 H13B 109.5 . . ?
C11 C13 H13C 109.5 . . ?
H13A C13 H13B 109.5 . . ?
H13A C13 H13C 109.5 . . ?
H13B C13 H13C 109.5 . . ?
N2 C18 C19 113.05(14) . . ?
N2 C18 H18A 109.0 . . ?
N2 C18 H18B 109.0 . . ?
C19 C18 H18A 109.0 . . ?
C19 C18 H18B 109.0 . . ?
H18A C18 H18B 107.8 . . ?
C22 C21 C20 119.86(17) . . ?
C22 C21 H21 120.1 . . ?
C20 C21 H21 120.1 . . ?
C11 C12 H12A 109.5 . . ?
C11 C12 H12B 109.5 . . ?
C11 C12 H12C 109.5 . . ?
H12A C12 H12B 109.5 . . ?
H12A C12 H12C 109.5 . . ?
H12B C12 H12C 109.5 . . ?
C14 C15 H15A 109.5 . . ?
C14 C15 H15B 109.5 . . ?
C14 C15 H15C 109.5 . . ?
H15A C15 H15B 109.5 . . ?
H15A C15 H15C 109.5 . . ?
H15B C15 H15C 109.5 . . ?
C14 C16 H16A 109.5 . . ?
C14 C16 H16B 109.5 . . ?
C14 C16 H16C 109.5 . . ?
H16A C16 H16B 109.5 . . ?
H16A C16 H16C 109.5 . . ?
H16B C16 H16C 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 P1 2.3225(4) . ?
Ru1 Cl1 2.5555(4) . ?
Ru1 P2 2.3050(4) . ?
Ru1 N1 2.1931(13) . ?
Ru1 C17 1.8819(16) . ?
Ru1 H 1.56(2) . ?
P1 C7 1.8529(15) . ?
P1 C1 1.8602(15) . ?
P1 C4 1.8547(15) . ?
P2 C10 1.8482(16) . ?
P2 C14 1.8525(16) . ?
P2 C11 1.8541(16) . ?
N1 C8 1.4853(19) . ?
N1 C9 1.4869(19) . ?
N1 H1 0.89(2) . ?
N2 C17 1.179(2) . ?
N2 C18 1.441(2) . ?
C7 H7A 0.9900 . ?
C7 H7B 0.9900 . ?
C7 C8 1.523(2) . ?
C1 H1A 1.0000 . ?
C1 C2 1.526(2) . ?
C1 C3 1.533(2) . ?
C4 H4 1.0000 . ?
C4 C6 1.534(2) . ?
C4 C5 1.533(2) . ?
C10 H10A 0.9900 . ?
C10 H10B 0.9900 . ?
C10 C9 1.523(2) . ?
C8 H8A 0.9900 . ?
C8 H8B 0.9900 . ?
C14 H14 1.0000 . ?
C14 C15 1.524(2) . ?
C14 C16 1.529(2) . ?
C19 C24 1.393(2) . ?
C19 C20 1.386(2) . ?
C19 C18 1.513(2) . ?
C2 H2A 0.9800 . ?
C2 H2B 0.9800 . ?
C2 H2C 0.9800 . ?
C6 H6A 0.9800 . ?
C6 H6B 0.9800 . ?
C6 H6C 0.9800 . ?
C9 H9A 0.9900 . ?
C9 H9B 0.9900 . ?
C5 H5A 0.9800 . ?
C5 H5B 0.9800 . ?
C5 H5C 0.9800 . ?
C11 H11 1.0000 . ?
C11 C13 1.535(2) . ?
C11 C12 1.526(3) . ?
C24 H24 0.9500 . ?
C24 C23 1.388(2) . ?
C22 H22 0.9500 . ?
C22 C23 1.387(3) . ?
C22 C21 1.385(3) . ?
C23 H23 0.9500 . ?
C20 H20 0.9500 . ?
C20 C21 1.393(3) . ?
C3 H3A 0.9800 . ?
C3 H3B 0.9800 . ?
C3 H3C 0.9800 . ?
C13 H13A 0.9800 . ?
C13 H13B 0.9800 . ?
C13 H13C 0.9800 . ?
C18 H18A 0.9900 . ?
C18 H18B 0.9900 . ?
C21 H21 0.9500 . ?
C12 H12A 0.9800 . ?
C12 H12B 0.9800 . ?
C12 H12C 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 . ?
