#------------------------------------------------------------------------------
#$Date: 2016-03-26 00:29:08 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180081 $
#$URL: svn://www.crystallography.net/cod/cif/7/05/27/7052790.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_7052790
loop_
_publ_author_name
'Bond, Andrew D.'
'Sanders, Jeremy K. M.'
'Stulz, Eugen'
_publ_section_title
;
 Ruthenium(ii) and rhodium(iii) porphyrin phosphine complexes: influence
 of substitution pattern on structure and electronic properties
;
_journal_issue                   11
_journal_name_full               'New Journal of Chemistry'
_journal_page_first              2691
_journal_paper_doi               10.1039/c1nj20598f
_journal_volume                  35
_journal_year                    2011
_chemical_formula_moiety         'C76 H74 N4 P2 Ru'
_chemical_formula_sum            'C76 H74 N4 P2 Ru'
_chemical_formula_weight         1206.40
_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                96.180(1)
_cell_angle_beta                 110.866(1)
_cell_angle_gamma                113.422(1)
_cell_formula_units_Z            1
_cell_length_a                   11.5833(3)
_cell_length_b                   12.2478(3)
_cell_length_c                   13.1535(3)
_cell_measurement_reflns_used    25482
_cell_measurement_temperature    180(2)
_cell_measurement_theta_max      27.48
_cell_measurement_theta_min      1.02
_cell_volume                     1530.94(7)
_computing_cell_refinement       'HKL Scalepack (Otwinowski & Minor, 1997)'
_computing_data_collection       'Collect (Nonius, 1998)'
_computing_data_reduction
;
HKL Denzo and Scalepack (Otwinowski & Minor, 1997)
;
_computing_publication_material  'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_structure_refinement  'SHELXTL v6.12 (Bruker AXS, 2001)'
_computing_structure_solution    'SIR-92 (Altomare et al., 1994)'
_diffrn_ambient_temperature      180(2)
_diffrn_measured_fraction_theta_full 0.993
_diffrn_measured_fraction_theta_max 0.993
_diffrn_measurement_device_type  'Nonius KappaCCD'
_diffrn_measurement_method       'Thin slice ω and φ 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  0.0449
_diffrn_reflns_av_sigmaI/netI    0.0465
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            18951
_diffrn_reflns_theta_full        27.51
_diffrn_reflns_theta_max         27.51
_diffrn_reflns_theta_min         3.55
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.357
_exptl_absorpt_correction_T_max  0.962
_exptl_absorpt_correction_T_min  0.880
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Sortav Blessing (1995)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.309
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             632
_exptl_crystal_size_max          0.18
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.451
_refine_diff_density_min         -0.700
_refine_diff_density_rms         0.085
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.049
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     380
_refine_ls_number_reflns         6976
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.049
_refine_ls_R_factor_all          0.0450
_refine_ls_R_factor_gt           0.0366
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0283P)²+1.1653P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0828
_refine_ls_wR_factor_ref         0.0868
_reflns_number_gt                6232
_reflns_number_total             6976
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            c1nj20598f.txt
_cod_data_source_block           P2_Ru2
_cod_original_cell_volume        1530.93(6)
_cod_database_code               7052790
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
Ru1 Ru 0.0000 0.0000 0.0000 0.01805(7) Uani 1 2 d S
P1 P 0.17148(5) 0.14971(4) -0.04033(4) 0.02168(11) Uani 1 1 d .
N1 N -0.06889(16) -0.11019(13) -0.16036(13) 0.0194(3) Uani 1 1 d .
N2 N 0.13295(16) -0.07302(13) 0.06535(13) 0.0196(3) Uani 1 1 d .
C1 C -0.1680(2) -0.11421(17) -0.25871(16) 0.0224(4) Uani 1 1 d .
C2 C -0.1914(2) -0.20636(18) -0.35362(17) 0.0265(4) Uani 1 1 d .
C3 C -0.1070(2) -0.25807(17) -0.30978(17) 0.0245(4) Uani 1 1 d .
C4 C -0.02975(19) -0.19716(16) -0.18828(16) 0.0208(4) Uani 1 1 d .
C5 C 0.0695(2) -0.22081(17) -0.11037(17) 0.0227(4) Uani 1 1 d .
H5A H 0.0857 -0.2845 -0.1403 0.027 Uiso 1 1 calc R
C6 C 0.14768(19) -0.16220(16) 0.00595(16) 0.0209(4) Uani 1 1 d .
C7 C 0.2567(2) -0.18442(17) 0.08369(17) 0.0237(4) Uani 1 1 d .
C8 C 0.3038(2) -0.10961(17) 0.18920(17) 0.0239(4) Uani 1 1 d .
C9 C 0.22518(19) -0.04056(17) 0.17700(16) 0.0215(4) Uani 1 1 d .
C10 C 0.2402(2) 0.04551(17) 0.26510(17) 0.0238(4) Uani 1 1 d .
H10A H 0.3080 0.0592 0.3387 0.029 Uiso 1 1 calc R
C11 C -0.2901(3) -0.2348(2) -0.47549(19) 0.0387(5) Uani 1 1 d .
H11A H -0.3820 -0.2479 -0.4798 0.046 Uiso 1 1 calc R
H11B H -0.3041 -0.3132 -0.5201 0.046 Uiso 1 1 calc R
C12 C -0.2383(4) -0.1322(3) -0.5287(2) 0.0587(8) Uani 1 1 d .
H12A H -0.3033 -0.1586 -0.6094 0.088 Uiso 1 1 calc R
H12B H -0.1453 -0.1157 -0.5214 0.088 Uiso 1 1 calc R
H12C H -0.2331 -0.0564 -0.4896 0.088 Uiso 1 1 calc R
C13 C -0.1009(2) -0.36502(19) -0.37130(18) 0.0307(5) Uani 1 1 d .
H13A H -0.0067 -0.3580 -0.3315 0.037 Uiso 1 1 calc R
H13B H -0.1157 -0.3604 -0.4493 0.037 Uiso 1 1 calc R
C14 C -0.2105(3) -0.4902(2) -0.3777(2) 0.0481(6) Uani 1 1 d .
H14A H -0.2026 -0.5572 -0.4177 0.072 Uiso 1 1 calc R
H14B H -0.3041 -0.4984 -0.4188 0.072 Uiso 1 1 calc R
H14C H -0.1955 -0.4955 -0.3006 0.072 Uiso 1 1 calc R
C15 C 0.3080(2) -0.2718(2) 0.0519(2) 0.0319(5) Uani 1 1 d .
H15A H 0.4113 -0.2264 0.0840 0.038 Uiso 1 1 calc R
H15B H 0.2706 -0.2989 -0.0319 0.038 Uiso 1 1 calc R
C16 C 0.2659(4) -0.3858(2) 0.0934(3) 0.0567(8) Uani 1 1 d .
H16A H 0.3012 -0.4393 0.0690 0.085 Uiso 1 1 calc R
H16B H 0.1637 -0.4318 0.0615 0.085 Uiso 1 1 calc R
H16C H 0.3057 -0.3601 0.1766 0.085 Uiso 1 1 calc R
C17 C 0.4167(2) -0.09565(19) 0.29910(18) 0.0291(4) Uani 1 1 d .
H17A H 0.4788 -0.0059 0.3393 0.035 Uiso 1 1 calc R
H17B H 0.4737 -0.1306 0.2818 0.035 Uiso 1 1 calc R
C18 C 0.3632(3) -0.1589(2) 0.3783(2) 0.0411(6) Uani 1 1 d .
H18A H 0.4425 -0.1482 0.4467 0.062 Uiso 1 1 calc R
H18B H 0.3009 -0.2477 0.3393 0.062 Uiso 1 1 calc R
H18C H 0.3116 -0.1213 0.4000 0.062 Uiso 1 1 calc R
C19 C 0.3313(2) 0.28798(18) 0.06523(18) 0.0257(4) Uani 1 1 d .
C20 C 0.4464(2) 0.3437(2) 0.0422(2) 0.0373(5) Uani 1 1 d .
H20A H 0.4425 0.3099 -0.0282 0.045 Uiso 1 1 calc R
C21 C 0.5669(2) 0.4485(2) 0.1215(2) 0.0448(6) Uani 1 1 d .
H21A H 0.6454 0.4853 0.1057 0.054 Uiso 1 1 calc R
C22 C 0.5727(3) 0.4990(2) 0.2230(2) 0.0456(6) Uani 1 1 d .
H22A H 0.6550 0.5706 0.2771 0.055 Uiso 1 1 calc R
C23 C 0.4588(3) 0.4455(2) 0.2462(2) 0.0426(6) Uani 1 1 d .
H23A H 0.4629 0.4806 0.3162 0.051 Uiso 1 1 calc R
C24 C 0.3388(2) 0.34106(19) 0.16772(19) 0.0327(5) Uani 1 1 d .
H24A H 0.2606 0.3052 0.1841 0.039 Uiso 1 1 calc R
C25 C 0.1079(2) 0.22360(18) -0.14623(18) 0.0259(4) Uani 1 1 d .
C26 C 0.0749(2) 0.31475(19) -0.1127(2) 0.0320(5) Uani 1 1 d .
H26A H 0.0798 0.3327 -0.0388 0.038 Uiso 1 1 calc R
C27 C 0.0352(2) 0.3793(2) -0.1863(2) 0.0406(6) Uani 1 1 d .
H27A H 0.0129 0.4415 -0.1628 0.049 Uiso 1 1 calc R
C28 C 0.0279(3) 0.3532(2) -0.2941(2) 0.0436(6) Uani 1 1 d .
H28A H 0.0039 0.3996 -0.3439 0.052 Uiso 1 1 calc R
C29 C 0.0554(3) 0.2599(3) -0.3293(2) 0.0438(6) Uani 1 1 d .
H29A H 0.0468 0.2399 -0.4044 0.053 Uiso 1 1 calc R
C30 C 0.0956(2) 0.1953(2) -0.2560(2) 0.0355(5) Uani 1 1 d .
H30A H 0.1148 0.1314 -0.2806 0.043 Uiso 1 1 calc R
C31 C 0.2424(2) 0.07780(18) -0.10619(18) 0.0278(4) Uani 1 1 d .
C32 C 0.2730(2) 0.01383(19) -0.15571(19) 0.0293(4) Uani 1 1 d .
C33 C 0.2999(2) -0.06940(18) -0.21800(18) 0.0280(4) Uani 1 1 d .
C34 C 0.4045(3) -0.1011(2) -0.1650(2) 0.0373(5) Uani 1 1 d .
H34A H 0.4621 -0.0655 -0.0855 0.045 Uiso 1 1 calc R
C35 C 0.4252(3) -0.1838(2) -0.2269(2) 0.0447(6) Uani 1 1 d .
H35A H 0.4972 -0.2045 -0.1898 0.054 Uiso 1 1 calc R
C36 C 0.3424(3) -0.2365(2) -0.3417(2) 0.0431(6) Uani 1 1 d .
H36A H 0.3560 -0.2946 -0.3837 0.052 Uiso 1 1 calc R
C37 C 0.2394(3) -0.2050(2) -0.3959(2) 0.0444(6) Uani 1 1 d .
H37A H 0.1830 -0.2404 -0.4756 0.053 Uiso 1 1 calc R
C38 C 0.2178(2) -0.1223(2) -0.3349(2) 0.0367(5) Uani 1 1 d .
H38A H 0.1464 -0.1012 -0.3729 0.044 Uiso 1 1 calc R
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'
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
N2 Ru1 N2 180.00(12) 2 .
N2 Ru1 N1 89.59(6) 2 2
N2 Ru1 N1 90.41(6) . 2
N2 Ru1 N1 90.41(6) 2 .
N2 Ru1 N1 89.59(6) . .
N1 Ru1 N1 180.00(9) 2 .
N2 Ru1 P1 90.10(4) 2 .
N2 Ru1 P1 89.90(4) . .
N1 Ru1 P1 94.54(4) 2 .
N1 Ru1 P1 85.46(4) . .
N2 Ru1 P1 89.90(4) 2 2
N2 Ru1 P1 90.10(4) . 2
N1 Ru1 P1 85.46(4) 2 2
N1 Ru1 P1 94.54(4) . 2
P1 Ru1 P1 180.00(3) . 2
C31 P1 C25 100.94(10) . .
C31 P1 C19 101.06(10) . .
C25 P1 C19 99.07(9) . .
C31 P1 Ru1 110.37(7) . .
C25 P1 Ru1 116.25(6) . .
C19 P1 Ru1 125.60(7) . .
C1 N1 C4 107.32(15) . .
C1 N1 Ru1 125.82(12) . .
C4 N1 Ru1 126.79(13) . .
C9 N2 C6 106.93(15) . .
C9 N2 Ru1 126.14(12) . .
C6 N2 Ru1 126.93(13) . .
N1 C1 C10 124.90(17) . 2
N1 C1 C2 109.41(17) . .
C10 C1 C2 125.60(18) 2 .
C3 C2 C1 106.85(17) . .
C3 C2 C11 128.31(19) . .
C1 C2 C11 124.84(19) . .
C2 C3 C4 107.11(17) . .
C2 C3 C13 127.65(19) . .
C4 C3 C13 125.07(18) . .
N1 C4 C5 124.37(17) . .
N1 C4 C3 109.29(16) . .
C5 C4 C3 126.34(17) . .
C6 C5 C4 127.76(18) . .
C6 C5 H5A 116.1 . .
C4 C5 H5A 116.1 . .
N2 C6 C5 124.41(17) . .
N2 C6 C7 109.42(16) . .
C5 C6 C7 126.18(17) . .
C8 C7 C6 106.84(17) . .
C8 C7 C15 127.04(18) . .
C6 C7 C15 126.12(18) . .
C7 C8 C9 106.89(17) . .
C7 C8 C17 128.37(18) . .
C9 C8 C17 124.73(18) . .
N2 C9 C10 124.68(17) . .
N2 C9 C8 109.91(17) . .
C10 C9 C8 125.41(18) . .
C9 C10 C1 128.00(18) . 2
C9 C10 H10A 116.0 . .
C1 C10 H10A 116.0 2 .
C2 C11 C12 113.2(2) . .
C2 C11 H11A 108.9 . .
C12 C11 H11A 108.9 . .
C2 C11 H11B 108.9 . .
C12 C11 H11B 108.9 . .
H11A C11 H11B 107.8 . .
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 . .
C3 C13 C14 111.99(19) . .
C3 C13 H13A 109.2 . .
C14 C13 H13A 109.2 . .
C3 C13 H13B 109.2 . .
C14 C13 H13B 109.2 . .
H13A C13 H13B 107.9 . .
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 . .
C7 C15 C16 113.6(2) . .
C7 C15 H15A 108.9 . .
C16 C15 H15A 108.9 . .
C7 C15 H15B 108.9 . .
C16 C15 H15B 108.9 . .
H15A C15 H15B 107.7 . .
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 . .
C8 C17 C18 114.36(18) . .
C8 C17 H17A 108.7 . .
C18 C17 H17A 108.7 . .
C8 C17 H17B 108.7 . .
C18 C17 H17B 108.7 . .
H17A C17 H17B 107.6 . .
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 . .
C24 C19 C20 118.53(19) . .
C24 C19 P1 121.11(15) . .
C20 C19 P1 120.34(17) . .
C21 C20 C19 120.4(2) . .
C21 C20 H20A 119.8 . .
C19 C20 H20A 119.8 . .
C22 C21 C20 120.1(2) . .
C22 C21 H21A 120.0 . .
C20 C21 H21A 120.0 . .
C21 C22 C23 120.0(2) . .
C21 C22 H22A 120.0 . .
C23 C22 H22A 120.0 . .
C22 C23 C24 120.2(2) . .
C22 C23 H23A 119.9 . .
C24 C23 H23A 119.9 . .
C23 C24 C19 120.8(2) . .
C23 C24 H24A 119.6 . .
C19 C24 H24A 119.6 . .
C30 C25 C26 119.1(2) . .
C30 C25 P1 123.08(17) . .
C26 C25 P1 117.80(16) . .
C27 C26 C25 120.5(2) . .
C27 C26 H26A 119.7 . .
C25 C26 H26A 119.7 . .
C26 C27 C28 119.8(2) . .
C26 C27 H27A 120.1 . .
C28 C27 H27A 120.1 . .
C29 C28 C27 119.9(2) . .
C29 C28 H28A 120.0 . .
C27 C28 H28A 120.0 . .
C28 C29 C30 120.4(2) . .
C28 C29 H29A 119.8 . .
C30 C29 H29A 119.8 . .
C29 C30 C25 120.2(2) . .
C29 C30 H30A 119.9 . .
C25 C30 H30A 119.9 . .
C32 C31 P1 170.67(18) . .
C31 C32 C33 176.1(2) . .
C34 C33 C38 118.4(2) . .
C34 C33 C32 122.0(2) . .
C38 C33 C32 119.5(2) . .
C35 C34 C33 120.6(2) . .
C35 C34 H34A 119.7 . .
C33 C34 H34A 119.7 . .
C36 C35 C34 120.4(2) . .
C36 C35 H35A 119.8 . .
C34 C35 H35A 119.8 . .
C35 C36 C37 119.8(2) . .
C35 C36 H36A 120.1 . .
C37 C36 H36A 120.1 . .
C36 C37 C38 120.3(2) . .
C36 C37 H37A 119.9 . .
C38 C37 H37A 119.9 . .
C37 C38 C33 120.5(2) . .
C37 C38 H38A 119.8 . .
C33 C38 H38A 119.8 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 N2 2.0561(15) 2
Ru1 N2 2.0561(15) .
Ru1 N1 2.0589(15) 2
Ru1 N1 2.0589(15) .
Ru1 P1 2.3777(5) .
Ru1 P1 2.3777(5) 2
P1 C31 1.766(2) .
P1 C25 1.836(2) .
P1 C19 1.842(2) .
N1 C1 1.370(2) .
N1 C4 1.376(2) .
N2 C9 1.369(2) .
N2 C6 1.376(2) .
C1 C10 1.393(3) 2
C1 C2 1.455(3) .
C2 C3 1.363(3) .
C2 C11 1.502(3) .
C3 C4 1.451(3) .
C3 C13 1.504(3) .
C4 C5 1.395(3) .
C5 C6 1.391(3) .
C5 H5A 0.9500 .
C6 C7 1.459(3) .
C7 C8 1.361(3) .
C7 C15 1.503(3) .
C8 C9 1.452(3) .
C8 C17 1.500(3) .
C9 C10 1.390(3) .
C10 C1 1.393(3) 2
C10 H10A 0.9500 .
C11 C12 1.522(4) .
C11 H11A 0.9900 .
C11 H11B 0.9900 .
C12 H12A 0.9800 .
C12 H12B 0.9800 .
C12 H12C 0.9800 .
C13 C14 1.523(3) .
C13 H13A 0.9900 .
C13 H13B 0.9900 .
C14 H14A 0.9800 .
C14 H14B 0.9800 .
C14 H14C 0.9800 .
C15 C16 1.517(3) .
C15 H15A 0.9900 .
C15 H15B 0.9900 .
C16 H16A 0.9800 .
C16 H16B 0.9800 .
C16 H16C 0.9800 .
C17 C18 1.524(3) .
C17 H17A 0.9900 .
C17 H17B 0.9900 .
C18 H18A 0.9800 .
C18 H18B 0.9800 .
C18 H18C 0.9800 .
C19 C24 1.389(3) .
C19 C20 1.395(3) .
C20 C21 1.391(3) .
C20 H20A 0.9500 .
C21 C22 1.376(4) .
C21 H21A 0.9500 .
C22 C23 1.379(3) .
C22 H22A 0.9500 .
C23 C24 1.384(3) .
C23 H23A 0.9500 .
C24 H24A 0.9500 .
C25 C30 1.389(3) .
C25 C26 1.393(3) .
C26 C27 1.382(3) .
C26 H26A 0.9500 .
C27 C28 1.385(4) .
C27 H27A 0.9500 .
C28 C29 1.380(4) .
C28 H28A 0.9500 .
C29 C30 1.382(3) .
C29 H29A 0.9500 .
C30 H30A 0.9500 .
C31 C32 1.200(3) .
C32 C33 1.436(3) .
C33 C34 1.391(3) .
C33 C38 1.394(3) .
C34 C35 1.378(3) .
C34 H34A 0.9500 .
C35 C36 1.373(4) .
C35 H35A 0.9500 .
C36 C37 1.379(4) .
C36 H36A 0.9500 .
C37 C38 1.379(3) .
C37 H37A 0.9500 .
C38 H38A 0.9500 .
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
N2 Ru1 P1 C31 -133.86(9) 2 .
N2 Ru1 P1 C31 46.14(9) . .
N1 Ru1 P1 C31 136.55(9) 2 .
N1 Ru1 P1 C31 -43.45(9) . .
N2 Ru1 P1 C25 -19.73(9) 2 .
N2 Ru1 P1 C25 160.27(9) . .
N1 Ru1 P1 C25 -109.32(9) 2 .
N1 Ru1 P1 C25 70.68(9) . .
N2 Ru1 P1 C19 104.97(9) 2 .
N2 Ru1 P1 C19 -75.03(9) . .
N1 Ru1 P1 C19 15.38(9) 2 .
N1 Ru1 P1 C19 -164.62(9) . .
N2 Ru1 N1 C1 -0.11(15) 2 .
N2 Ru1 N1 C1 179.89(15) . .
P1 Ru1 N1 C1 -90.18(14) . .
P1 Ru1 N1 C1 89.82(14) 2 .
N2 Ru1 N1 C4 -176.74(15) 2 .
N2 Ru1 N1 C4 3.26(15) . .
P1 Ru1 N1 C4 93.19(14) . .
P1 Ru1 N1 C4 -86.81(14) 2 .
N1 Ru1 N2 C9 -1.74(15) 2 .
N1 Ru1 N2 C9 178.26(15) . .
P1 Ru1 N2 C9 92.80(14) . .
P1 Ru1 N2 C9 -87.20(14) 2 .
N1 Ru1 N2 C6 179.02(15) 2 .
N1 Ru1 N2 C6 -0.98(15) . .
P1 Ru1 N2 C6 -86.44(14) . .
P1 Ru1 N2 C6 93.56(14) 2 .
C4 N1 C1 C10 175.77(18) . 2
Ru1 N1 C1 C10 -1.4(3) . 2
C4 N1 C1 C2 -0.9(2) . .
Ru1 N1 C1 C2 -178.09(12) . .
N1 C1 C2 C3 1.1(2) . .
C10 C1 C2 C3 -175.53(19) 2 .
N1 C1 C2 C11 -178.43(19) . .
C10 C1 C2 C11 4.9(3) 2 .
C1 C2 C3 C4 -0.8(2) . .
C11 C2 C3 C4 178.7(2) . .
C1 C2 C3 C13 174.61(19) . .
C11 C2 C3 C13 -5.9(4) . .
C1 N1 C4 C5 -179.92(17) . .
Ru1 N1 C4 C5 -2.8(3) . .
C1 N1 C4 C3 0.4(2) . .
Ru1 N1 C4 C3 177.53(12) . .
C2 C3 C4 N1 0.3(2) . .
C13 C3 C4 N1 -175.29(18) . .
C2 C3 C4 C5 -179.38(18) . .
C13 C3 C4 C5 5.0(3) . .
N1 C4 C5 C6 -1.3(3) . .
C3 C4 C5 C6 178.35(18) . .
C9 N2 C6 C5 178.62(17) . .
Ru1 N2 C6 C5 -2.0(3) . .
C9 N2 C6 C7 -1.4(2) . .
Ru1 N2 C6 C7 177.93(12) . .
C4 C5 C6 N2 3.9(3) . .
C4 C5 C6 C7 -176.10(18) . .
N2 C6 C7 C8 1.1(2) . .
C5 C6 C7 C8 -178.90(18) . .
N2 C6 C7 C15 -177.86(18) . .
C5 C6 C7 C15 2.1(3) . .
C6 C7 C8 C9 -0.4(2) . .
C15 C7 C8 C9 178.60(18) . .
C6 C7 C8 C17 -179.24(18) . .
C15 C7 C8 C17 -0.2(3) . .
C6 N2 C9 C10 -178.59(17) . .
Ru1 N2 C9 C10 2.1(3) . .
C6 N2 C9 C8 1.2(2) . .
Ru1 N2 C9 C8 -178.18(12) . .
C7 C8 C9 N2 -0.5(2) . .
C17 C8 C9 N2 178.42(17) . .
C7 C8 C9 C10 179.29(18) . .
C17 C8 C9 C10 -1.8(3) . .
N2 C9 C10 C1 -0.2(3) . 2
C8 C9 C10 C1 -179.91(19) . 2
C3 C2 C11 C12 -107.5(3) . .
C1 C2 C11 C12 72.0(3) . .
C2 C3 C13 C14 -84.8(3) . .
C4 C3 C13 C14 89.9(3) . .
C8 C7 C15 C16 71.5(3) . .
C6 C7 C15 C16 -109.7(2) . .
C7 C8 C17 C18 -104.8(3) . .
C9 C8 C17 C18 76.6(3) . .
C31 P1 C19 C24 -150.06(18) . .
C25 P1 C19 C24 106.82(18) . .
Ru1 P1 C19 C24 -24.9(2) . .
C31 P1 C19 C20 31.7(2) . .
C25 P1 C19 C20 -71.39(19) . .
Ru1 P1 C19 C20 156.92(15) . .
C24 C19 C20 C21 1.4(3) . .
P1 C19 C20 C21 179.68(19) . .
C19 C20 C21 C22 -0.9(4) . .
C20 C21 C22 C23 0.0(4) . .
C21 C22 C23 C24 0.2(4) . .
C22 C23 C24 C19 0.5(4) . .
C20 C19 C24 C23 -1.2(3) . .
P1 C19 C24 C23 -179.47(19) . .
C31 P1 C25 C30 13.33(19) . .
C19 P1 C25 C30 116.56(18) . .
Ru1 P1 C25 C30 -106.05(17) . .
C31 P1 C25 C26 -164.69(16) . .
C19 P1 C25 C26 -61.46(17) . .
Ru1 P1 C25 C26 75.92(16) . .
C30 C25 C26 C27 -2.3(3) . .
P1 C25 C26 C27 175.85(17) . .
C25 C26 C27 C28 0.1(3) . .
C26 C27 C28 C29 2.3(4) . .
C27 C28 C29 C30 -2.5(4) . .
C28 C29 C30 C25 0.3(4) . .
C26 C25 C30 C29 2.1(3) . .
P1 C25 C30 C29 -175.92(18) . .
C38 C33 C34 C35 -0.6(3) . .
C32 C33 C34 C35 178.3(2) . .
C33 C34 C35 C36 -0.3(4) . .
C34 C35 C36 C37 1.1(4) . .
C35 C36 C37 C38 -1.0(4) . .
C36 C37 C38 C33 0.2(4) . .
C34 C33 C38 C37 0.6(3) . .
C32 C33 C38 C37 -178.3(2) . .
