#------------------------------------------------------------------------------
#$Date: 2016-03-21 18:55:18 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178829 $
#$URL: svn://www.crystallography.net/cod/cif/4/10/83/4108363.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_4108363
loop_
_publ_author_name
'Andrew J. Boydston'
'Yan Xia'
'Julia A. Kornfield'
'Irina A. Gorodetskaya'
'Robert H. Grubbs'
_publ_section_title
;
 Cyclic Ruthenium-Alkylidene Catalysts for Ring-Expansion Metathesis
 Polymerization
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              12775
_journal_page_last               12782
_journal_paper_doi               10.1021/ja8037849
_journal_volume                  130
_journal_year                    2008
_chemical_formula_sum            'C39 H60 Cl2 N2 P Ru'
_chemical_formula_weight         759.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 107.393(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.2664(15)
_cell_length_b                   11.8916(11)
_cell_length_c                   19.2386(17)
_cell_measurement_temperature    100(2)
_cell_volume                     3769.6(6)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.915
_diffrn_measured_fraction_theta_max 0.915
_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  0.0684
_diffrn_reflns_av_sigmaI/netI    0.0435
_diffrn_reflns_limit_h_max       31
_diffrn_reflns_limit_h_min       -31
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -20
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            84806
_diffrn_reflns_theta_full        42.31
_diffrn_reflns_theta_max         42.31
_diffrn_reflns_theta_min         2.04
_exptl_absorpt_coefficient_mu    0.629
_exptl_crystal_density_diffrn    1.339
_exptl_crystal_F_000             1604
_refine_diff_density_max         1.981
_refine_diff_density_min         -1.112
_refine_diff_density_rms         0.109
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.676
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     409
_refine_ls_number_reflns         24535
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.676
_refine_ls_R_factor_all          0.0489
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0717
_refine_ls_wR_factor_ref         0.0754
_reflns_number_gt                19703
_reflns_number_total             24535
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja8037849_si_003.cif
_cod_data_source_block           yan01
_cod_database_code               4108363
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -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 0.198250(4) 0.110617(6) 0.361031(4) 0.00900(2) Uani 1 1 d .
P1 P 0.238582(15) -0.06291(2) 0.427846(13) 0.01083(4) Uani 1 1 d .
Cl1 Cl 0.059986(14) 0.04883(2) 0.319512(13) 0.01515(4) Uani 1 1 d .
Cl2 Cl 0.337844(14) 0.15781(2) 0.385901(12) 0.01458(4) Uani 1 1 d .
N1 N 0.19300(5) 0.24053(7) 0.21859(4) 0.01373(14) Uani 1 1 d .
N2 N 0.10417(5) 0.31048(8) 0.26379(4) 0.01423(14) Uani 1 1 d .
C1 C 0.17798(6) 0.18775(8) 0.43554(5) 0.01362(15) Uani 1 1 d .
H1 H 0.1291 0.1669 0.4452 0.016 Uiso 1 1 calc R
C2 C 0.22510(7) 0.27842(9) 0.48414(5) 0.01842(18) Uani 1 1 d .
H2A H 0.2774 0.2897 0.4737 0.022 Uiso 1 1 calc R
H2B H 0.2372 0.2544 0.5356 0.022 Uiso 1 1 calc R
C3 C 0.17849(7) 0.39008(10) 0.47349(6) 0.01984(18) Uani 1 1 d .
H3A H 0.2057 0.4412 0.5140 0.024 Uiso 1 1 calc R
H3B H 0.1230 0.3757 0.4763 0.024 Uiso 1 1 calc R
C4 C 0.17207(8) 0.44960(9) 0.40109(6) 0.02052(19) Uani 1 1 d .
H4A H 0.1933 0.5271 0.4117 0.025 Uiso 1 1 calc R
H4B H 0.2071 0.4098 0.3767 0.025 Uiso 1 1 calc R
C5 C 0.08645(8) 0.45540(10) 0.34888(6) 0.0212(2) Uani 1 1 d .
H5A H 0.0849 0.5126 0.3111 0.025 Uiso 1 1 calc R
H5B H 0.0491 0.4803 0.3761 0.025 Uiso 1 1 calc R
C6 C 0.05618(6) 0.34354(9) 0.31156(5) 0.01637(17) Uani 1 1 d .
H6A H 0.0603 0.2847 0.3489 0.020 Uiso 1 1 calc R
H6B H -0.0016 0.3508 0.2826 0.020 Uiso 1 1 calc R
C7 C 0.16432(6) 0.23190(8) 0.27719(5) 0.01098(13) Uani 1 1 d .
C8 C 0.09612(8) 0.36662(10) 0.19883(6) 0.0218(2) Uani 1 1 d .
H8 H 0.0588 0.4252 0.1785 0.026 Uiso 1 1 calc R
C9 C 0.15138(8) 0.32215(10) 0.17011(6) 0.0219(2) Uani 1 1 d .
H9 H 0.1602 0.3426 0.1254 0.026 Uiso 1 1 calc R
C10 C 0.25380(6) 0.17164(9) 0.20264(5) 0.01388(15) Uani 1 1 d .
C11 C 0.23027(7) 0.06677(9) 0.17063(5) 0.01802(18) Uani 1 1 d .
C12 C 0.28998(9) 0.00253(11) 0.15376(6) 0.0261(3) Uani 1 1 d .
H12 H 0.2760 -0.0696 0.1325 0.031 Uiso 1 1 calc R
C13 C 0.36899(9) 0.04078(13) 0.16714(7) 0.0307(3) Uani 1 1 d .
C14 C 0.38854(8) 0.14752(13) 0.19662(7) 0.0266(3) Uani 1 1 d .
H14 H 0.4422 0.1750 0.2047 0.032 Uiso 1 1 calc R
C15 C 0.33155(7) 0.21549(10) 0.21475(6) 0.01880(18) Uani 1 1 d .
C16 C 0.14375(8) 0.02713(11) 0.15287(7) 0.0261(2) Uani 1 1 d .
H16A H 0.1403 -0.0514 0.1368 0.039 Uiso 1 1 calc R
H16B H 0.1091 0.0739 0.1139 0.039 Uiso 1 1 calc R
H16C H 0.1255 0.0331 0.1963 0.039 Uiso 1 1 calc R
C17 C 0.43267(12) -0.03323(17) 0.15139(9) 0.0491(5) Uani 1 1 d .
H17A H 0.4801 0.0123 0.1519 0.074 Uiso 1 1 calc R
H17B H 0.4105 -0.0681 0.1034 0.074 Uiso 1 1 calc R
H17C H 0.4488 -0.0920 0.1887 0.074 Uiso 1 1 calc R
C18 C 0.35374(8) 0.33037(12) 0.24752(7) 0.0264(2) Uani 1 1 d .
H18A H 0.3252 0.3878 0.2127 0.040 Uiso 1 1 calc R
H18B H 0.4125 0.3415 0.2589 0.040 Uiso 1 1 calc R
H18C H 0.3380 0.3366 0.2923 0.040 Uiso 1 1 calc R
C19 C 0.15898(6) -0.12949(8) 0.46139(5) 0.01320(15) Uani 1 1 d .
H19 H 0.1077 -0.1229 0.4201 0.016 Uiso 1 1 calc R
C20 C 0.14202(7) -0.06681(9) 0.52509(6) 0.01730(17) Uani 1 1 d .
H20A H 0.1351 0.0144 0.5137 0.021 Uiso 1 1 calc R
H20B H 0.1887 -0.0759 0.5695 0.021 Uiso 1 1 calc R
C21 C 0.06483(8) -0.11341(10) 0.53881(7) 0.0225(2) Uani 1 1 d .
H21A H 0.0560 -0.0745 0.5813 0.027 Uiso 1 1 calc R
H21B H 0.0176 -0.0976 0.4959 0.027 Uiso 1 1 calc R
C22 C 0.07056(7) -0.23995(10) 0.55309(6) 0.02026(19) Uani 1 1 d .
H22A H 0.1133 -0.2552 0.5995 0.024 Uiso 1 1 calc R
H22B H 0.0183 -0.2677 0.5579 0.024 Uiso 1 1 calc R
C23 C 0.09035(7) -0.30244(9) 0.49143(6) 0.01958(19) Uani 1 1 d .
H23A H 0.0447 -0.2944 0.4461 0.023 Uiso 1 1 calc R
H23B H 0.0974 -0.3835 0.5035 0.023 Uiso 1 1 calc R
C24 C 0.16823(7) -0.25603(9) 0.47917(7) 0.01925(19) Uani 1 1 d .
H24A H 0.1796 -0.2969 0.4385 0.023 Uiso 1 1 calc R
H24B H 0.2146 -0.2680 0.5235 0.023 Uiso 1 1 calc R
C25 C 0.25925(6) -0.17368(8) 0.36732(5) 0.01408(15) Uani 1 1 d .
H25 H 0.2794 -0.2412 0.3984 0.017 Uiso 1 1 calc R
C26 C 0.18261(7) -0.21040(10) 0.30678(6) 0.01901(18) Uani 1 1 d .
H26A H 0.1394 -0.2308 0.3286 0.023 Uiso 1 1 calc R
H26B H 0.1627 -0.1471 0.2727 0.023 Uiso 1 1 calc R
C27 C 0.20135(8) -0.31146(10) 0.26492(6) 0.0229(2) Uani 1 1 d .
H27A H 0.2175 -0.3764 0.2984 0.027 Uiso 1 1 calc R
H27B H 0.1519 -0.3327 0.2256 0.027 Uiso 1 1 calc R
C28 C 0.26942(8) -0.28456(11) 0.23198(6) 0.0248(2) Uani 1 1 d .
H28A H 0.2501 -0.2277 0.1930 0.030 Uiso 1 1 calc R
H28B H 0.2838 -0.3534 0.2097 0.030 Uiso 1 1 calc R
C29 C 0.34479(8) -0.23991(11) 0.28925(7) 0.0254(2) Uani 1 1 d .
H29A H 0.3849 -0.2153 0.2648 0.031 Uiso 1 1 calc R
H29B H 0.3696 -0.3015 0.3232 0.031 Uiso 1 1 calc R
C30 C 0.32571(7) -0.14086(10) 0.33292(6) 0.01842(18) Uani 1 1 d .
H30A H 0.3755 -0.1188 0.3717 0.022 Uiso 1 1 calc R
H30B H 0.3074 -0.0755 0.3003 0.022 Uiso 1 1 calc R
C31 C 0.33621(6) -0.05663(8) 0.50159(5) 0.01375(15) Uani 1 1 d .
H31 H 0.3780 -0.0443 0.4759 0.017 Uiso 1 1 calc R
C32 C 0.36423(6) -0.16358(9) 0.54709(6) 0.01785(17) Uani 1 1 d .
H32A H 0.3298 -0.1764 0.5793 0.021 Uiso 1 1 calc R
H32B H 0.3587 -0.2294 0.5144 0.021 Uiso 1 1 calc R
C33 C 0.45317(7) -0.15039(11) 0.59326(7) 0.0229(2) Uani 1 1 d .
H33A H 0.4703 -0.2184 0.6237 0.028 Uiso 1 1 calc R
H33B H 0.4877 -0.1439 0.5606 0.028 Uiso 1 1 calc R
C34 C 0.46577(7) -0.04713(11) 0.64239(6) 0.0222(2) Uani 1 1 d .
H34A H 0.5244 -0.0380 0.6680 0.027 Uiso 1 1 calc R
H34B H 0.4372 -0.0580 0.6795 0.027 Uiso 1 1 calc R
C35 C 0.43366(7) 0.05903(10) 0.59815(6) 0.01898(18) Uani 1 1 d .
H35A H 0.4671 0.0754 0.5656 0.023 Uiso 1 1 calc R
H35B H 0.4385 0.1236 0.6317 0.023 Uiso 1 1 calc R
C36 C 0.34477(6) 0.04530(9) 0.55248(5) 0.01633(17) Uani 1 1 d .
H36A H 0.3261 0.1141 0.5233 0.020 Uiso 1 1 calc R
H36B H 0.3105 0.0344 0.5850 0.020 Uiso 1 1 calc R
C37 C 0.42386(10) 0.51772(15) 0.45100(9) 0.0362(3) Uani 1 1 d .
H37 H 0.3717 0.5300 0.4174 0.043 Uiso 1 1 calc R
C38 C 0.47604(11) 0.60779(13) 0.47548(9) 0.0354(3) Uani 1 1 d .
H38 H 0.4596 0.6817 0.4587 0.043 Uiso 1 1 calc R
C39 C 0.55220(10) 0.58994(14) 0.52448(9) 0.0356(3) Uani 1 1 d .
H39 H 0.5879 0.6516 0.5412 0.043 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'
Cl Cl 0.1484 0.1585 '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
C1 Ru1 C7 100.52(4) .
C1 Ru1 Cl2 98.30(3) .
C7 Ru1 Cl2 91.46(3) .
C1 Ru1 Cl1 90.58(3) .
C7 Ru1 Cl1 86.19(3) .
Cl2 Ru1 Cl1 171.094(9) .
C1 Ru1 P1 95.96(3) .
C7 Ru1 P1 163.29(2) .
Cl2 Ru1 P1 88.907(9) .
Cl1 Ru1 P1 90.885(10) .
C31 P1 C19 110.43(4) .
C31 P1 C25 101.94(5) .
C19 P1 C25 102.43(4) .
C31 P1 Ru1 115.08(3) .
C19 P1 Ru1 114.95(3) .
C25 P1 Ru1 110.46(3) .
C7 N1 C9 111.40(8) .
C7 N1 C10 127.10(8) .
C9 N1 C10 121.35(8) .
C7 N2 C8 111.46(8) .
C7 N2 C6 127.45(8) .
C8 N2 C6 120.90(9) .
C2 C1 Ru1 131.09(8) .
C2 C1 H1 114.5 .
Ru1 C1 H1 114.5 .
C1 C2 C3 111.97(9) .
C1 C2 H2A 109.2 .
C3 C2 H2A 109.2 .
C1 C2 H2B 109.2 .
C3 C2 H2B 109.2 .
H2A C2 H2B 107.9 .
C2 C3 C4 114.37(9) .
C2 C3 H3A 108.7 .
C4 C3 H3A 108.7 .
C2 C3 H3B 108.7 .
C4 C3 H3B 108.7 .
H3A C3 H3B 107.6 .
C5 C4 C3 114.34(10) .
C5 C4 H4A 108.7 .
C3 C4 H4A 108.7 .
C5 C4 H4B 108.7 .
C3 C4 H4B 108.7 .
H4A C4 H4B 107.6 .
C4 C5 C6 113.55(9) .
C4 C5 H5A 108.9 .
C6 C5 H5A 108.9 .
C4 C5 H5B 108.9 .
C6 C5 H5B 108.9 .
H5A C5 H5B 107.7 .
N2 C6 C5 110.53(9) .
N2 C6 H6A 109.5 .
C5 C6 H6A 109.5 .
N2 C6 H6B 109.5 .
C5 C6 H6B 109.5 .
H6A C6 H6B 108.1 .
N2 C7 N1 103.68(8) .
N2 C7 Ru1 129.36(6) .
N1 C7 Ru1 126.61(7) .
C9 C8 N2 106.76(9) .
C9 C8 H8 126.6 .
N2 C8 H8 126.6 .
C8 C9 N1 106.69(9) .
C8 C9 H9 126.7 .
N1 C9 H9 126.7 .
C15 C10 C11 123.14(9) .
C15 C10 N1 118.71(9) .
C11 C10 N1 117.97(9) .
C10 C11 C12 116.95(11) .
C10 C11 C16 121.20(10) .
C12 C11 C16 121.82(11) .
C13 C12 C11 122.06(12) .
C13 C12 H12 119.0 .
C11 C12 H12 119.0 .
C12 C13 C14 118.71(10) .
C12 C13 C17 120.47(16) .
C14 C13 C17 120.81(16) .
C13 C14 C15 121.84(13) .
C13 C14 H14 119.1 .
C15 C14 H14 119.1 .
C10 C15 C14 117.22(12) .
C10 C15 C18 121.43(10) .
C14 C15 C18 121.34(12) .
C11 C16 H16A 109.5 .
C11 C16 H16B 109.5 .
H16A C16 H16B 109.5 .
C11 C16 H16C 109.5 .
H16A C16 H16C 109.5 .
H16B C16 H16C 109.5 .
C13 C17 H17A 109.5 .
C13 C17 H17B 109.5 .
H17A C17 H17B 109.5 .
C13 C17 H17C 109.5 .
H17A C17 H17C 109.5 .
H17B C17 H17C 109.5 .
C15 C18 H18A 109.5 .
C15 C18 H18B 109.5 .
H18A C18 H18B 109.5 .
C15 C18 H18C 109.5 .
H18A C18 H18C 109.5 .
H18B C18 H18C 109.5 .
C20 C19 C24 109.19(8) .
C20 C19 P1 114.02(7) .
C24 C19 P1 117.02(7) .
C20 C19 H19 105.1 .
C24 C19 H19 105.1 .
P1 C19 H19 105.1 .
C19 C20 C21 110.12(9) .
C19 C20 H20A 109.6 .
C21 C20 H20A 109.6 .
C19 C20 H20B 109.6 .
C21 C20 H20B 109.6 .
H20A C20 H20B 108.1 .
C22 C21 C20 111.91(9) .
C22 C21 H21A 109.2 .
C20 C21 H21A 109.2 .
C22 C21 H21B 109.2 .
C20 C21 H21B 109.2 .
H21A C21 H21B 107.9 .
C23 C22 C21 110.99(9) .
C23 C22 H22A 109.4 .
C21 C22 H22A 109.4 .
C23 C22 H22B 109.4 .
C21 C22 H22B 109.4 .
H22A C22 H22B 108.0 .
C22 C23 C24 110.79(9) .
C22 C23 H23A 109.5 .
C24 C23 H23A 109.5 .
C22 C23 H23B 109.5 .
C24 C23 H23B 109.5 .
H23A C23 H23B 108.1 .
C23 C24 C19 110.35(9) .
C23 C24 H24A 109.6 .
C19 C24 H24A 109.6 .
C23 C24 H24B 109.6 .
C19 C24 H24B 109.6 .
H24A C24 H24B 108.1 .
C30 C25 C26 109.23(8) .
C30 C25 P1 113.39(7) .
C26 C25 P1 113.03(7) .
C30 C25 H25 106.9 .
C26 C25 H25 106.9 .
P1 C25 H25 106.9 .
C27 C26 C25 110.51(10) .
C27 C26 H26A 109.5 .
C25 C26 H26A 109.5 .
C27 C26 H26B 109.5 .
C25 C26 H26B 109.5 .
H26A C26 H26B 108.1 .
C28 C27 C26 111.29(10) .
C28 C27 H27A 109.4 .
C26 C27 H27A 109.4 .
C28 C27 H27B 109.4 .
C26 C27 H27B 109.4 .
H27A C27 H27B 108.0 .
C27 C28 C29 111.66(9) .
C27 C28 H28A 109.3 .
C29 C28 H28A 109.3 .
C27 C28 H28B 109.3 .
C29 C28 H28B 109.3 .
H28A C28 H28B 107.9 .
C28 C29 C30 112.63(10) .
C28 C29 H29A 109.1 .
C30 C29 H29A 109.1 .
C28 C29 H29B 109.1 .
C30 C29 H29B 109.1 .
H29A C29 H29B 107.8 .
C25 C30 C29 110.50(9) .
C25 C30 H30A 109.6 .
C29 C30 H30A 109.6 .
C25 C30 H30B 109.6 .
C29 C30 H30B 109.6 .
H30A C30 H30B 108.1 .
C36 C31 C32 109.60(8) .
C36 C31 P1 114.32(7) .
C32 C31 P1 117.53(7) .
C36 C31 H31 104.6 .
C32 C31 H31 104.6 .
P1 C31 H31 104.6 .
C33 C32 C31 109.57(9) .
C33 C32 H32A 109.8 .
C31 C32 H32A 109.8 .
C33 C32 H32B 109.8 .
C31 C32 H32B 109.8 .
H32A C32 H32B 108.2 .
C34 C33 C32 111.94(10) .
C34 C33 H33A 109.2 .
C32 C33 H33A 109.2 .
C34 C33 H33B 109.2 .
C32 C33 H33B 109.2 .
H33A C33 H33B 107.9 .
C33 C34 C35 111.02(9) .
C33 C34 H34A 109.4 .
C35 C34 H34A 109.4 .
C33 C34 H34B 109.4 .
C35 C34 H34B 109.4 .
H34A C34 H34B 108.0 .
C34 C35 C36 111.42(10) .
C34 C35 H35A 109.3 .
C36 C35 H35A 109.3 .
C34 C35 H35B 109.3 .
C36 C35 H35B 109.3 .
H35A C35 H35B 108.0 .
C35 C36 C31 109.77(8) .
C35 C36 H36A 109.7 .
C31 C36 H36A 109.7 .
C35 C36 H36B 109.7 .
C31 C36 H36B 109.7 .
H36A C36 H36B 108.2 .
C39 C37 C38 120.05(16) 3_666
C39 C37 H37 120.0 3_666
C38 C37 H37 120.0 .
C39 C38 C37 120.00(15) .
C39 C38 H38 120.0 .
C37 C38 H38 120.0 .
C37 C39 C38 119.96(13) 3_666
C37 C39 H39 120.0 3_666
C38 C39 H39 120.0 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru1 C1 1.8217(9) .
Ru1 C7 2.1119(9) .
Ru1 Cl2 2.3799(3) .
Ru1 Cl1 2.3952(3) .
Ru1 P1 2.4207(3) .
P1 C31 1.8521(10) .
P1 C19 1.8608(10) .
P1 C25 1.8619(10) .
N1 C7 1.3640(11) .
N1 C9 1.3883(13) .
N1 C10 1.4352(12) .
N2 C7 1.3632(12) .
N2 C8 1.3868(13) .
N2 C6 1.4632(12) .
C1 C2 1.4980(14) .
C1 H1 0.9500 .
C2 C3 1.5344(15) .
C2 H2A 0.9900 .
C2 H2B 0.9900 .
C3 C4 1.5365(16) .
C3 H3A 0.9900 .
C3 H3B 0.9900 .
C4 C5 1.5204(17) .
C4 H4A 0.9900 .
C4 H4B 0.9900 .
C5 C6 1.5277(16) .
C5 H5A 0.9900 .
C5 H5B 0.9900 .
C6 H6A 0.9900 .
C6 H6B 0.9900 .
C8 C9 1.3456(15) .
C8 H8 0.9500 .
C9 H9 0.9500 .
C10 C15 1.3934(15) .
C10 C11 1.3964(15) .
C11 C12 1.3970(15) .
C11 C16 1.5051(18) .
C12 C13 1.387(2) .
C12 H12 0.9500 .
C13 C14 1.390(2) .
C13 C17 1.5081(17) .
C14 C15 1.3958(16) .
C14 H14 0.9500 .
C15 C18 1.5053(18) .
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 .
C19 C20 1.5356(13) .
C19 C24 1.5408(14) .
C19 H19 1.0000 .
C20 C21 1.5373(15) .
C20 H20A 0.9900 .
C20 H20B 0.9900 .
C21 C22 1.5275(16) .
C21 H21A 0.9900 .
C21 H21B 0.9900 .
C22 C23 1.5227(16) .
C22 H22A 0.9900 .
C22 H22B 0.9900 .
C23 C24 1.5355(15) .
C23 H23A 0.9900 .
C23 H23B 0.9900 .
C24 H24A 0.9900 .
C24 H24B 0.9900 .
C25 C30 1.5367(14) .
C25 C26 1.5417(15) .
C25 H25 1.0000 .
C26 C27 1.5340(15) .
C26 H26A 0.9900 .
C26 H26B 0.9900 .
C27 C28 1.5266(17) .
C27 H27A 0.9900 .
C27 H27B 0.9900 .
C28 C29 1.5270(19) .
C28 H28A 0.9900 .
C28 H28B 0.9900 .
C29 C30 1.5386(16) .
C29 H29A 0.9900 .
C29 H29B 0.9900 .
C30 H30A 0.9900 .
C30 H30B 0.9900 .
C31 C36 1.5374(14) .
C31 C32 1.5378(14) .
C31 H31 1.0000 .
C32 C33 1.5351(16) .
C32 H32A 0.9900 .
C32 H32B 0.9900 .
C33 C34 1.5249(18) .
C33 H33A 0.9900 .
C33 H33B 0.9900 .
C34 C35 1.5308(16) .
C34 H34A 0.9900 .
C34 H34B 0.9900 .
C35 C36 1.5323(15) .
C35 H35A 0.9900 .
C35 H35B 0.9900 .
C36 H36A 0.9900 .
C36 H36B 0.9900 .
C37 C39 1.384(3) 3_666
C37 C38 1.388(2) .
C37 H37 0.9500 .
C38 C39 1.386(3) .
C38 H38 0.9500 .
C39 C37 1.384(3) 3_666
C39 H39 0.9500 .
