#------------------------------------------------------------------------------
#$Date: 2016-03-22 23:18:03 +0200 (Tue, 22 Mar 2016) $
#$Revision: 179054 $
#$URL: svn://www.crystallography.net/cod/cif/4/30/16/4301642.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_4301642
loop_
_publ_author_name
'Guiyan Liu'
'Bin Wu'
'Jianzheng Zhang'
'Xiaoli Wang'
'Mingbo Shao'
'Jianhui Wang'
_publ_section_title
;
Controlled Reversible Immobilization of Ru Carbene on Single-Walled Carbon
Nanotubes: A New Strategy for Green Catalytic Systems Based on a Solvent
Effect on π-π Interaction
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              2383
_journal_page_last               2390
_journal_paper_doi               10.1021/ic801111h
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C52 H54 Cl2 N2 O3 Ru'
_chemical_formula_sum            'C50 H Cl2 N9 O2 Ru2'
_chemical_formula_weight         1032.64
_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                 97.846(4)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   11.270(3)
_cell_length_b                   13.709(3)
_cell_length_c                   30.786(8)
_cell_measurement_reflns_used    2788
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      20.14
_cell_measurement_theta_min      2.35
_cell_volume                     4712(2)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      273(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'CCD area detector'
_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  0.0794
_diffrn_reflns_av_sigmaI/netI    0.1257
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       40
_diffrn_reflns_limit_l_min       -36
_diffrn_reflns_number            31331
_diffrn_reflns_theta_full        28.06
_diffrn_reflns_theta_max         28.06
_diffrn_reflns_theta_min         1.63
_exptl_absorpt_coefficient_mu    0.802
_exptl_absorpt_correction_T_max  0.8325
_exptl_absorpt_correction_T_min  0.7623
_exptl_absorpt_correction_type   none
_exptl_crystal_colour            Green
_exptl_crystal_density_diffrn    1.456
_exptl_crystal_density_meas      0
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Triangular
_exptl_crystal_F_000             2008
_exptl_crystal_size_max          0.27
_exptl_crystal_size_mid          0.25
_exptl_crystal_size_min          0.18
_refine_diff_density_max         2.115
_refine_diff_density_min         -0.798
_refine_diff_density_rms         0.125
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.966
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         11341
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.966
_refine_ls_R_factor_all          0.1596
_refine_ls_R_factor_gt           0.0666
_refine_ls_shift/su_max          0.046
_refine_ls_shift/su_mean         0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.1270P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1910
_refine_ls_wR_factor_ref         0.2337
_reflns_number_gt                5301
_reflns_number_total             11341
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic801111h_si_001.cif
_cod_data_source_block           70509a_0m
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to '/home/saulius/struct/CIF-dictionaries/cif_core.dic'
dictionary named 'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        4712.1(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               4301642
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
_atom_site_disorder_assembly
_atom_site_disorder_group
Ru Ru 0.98086(4) 0.75076(3) 0.162084(15) 0.03545(16) Uani 1 1 d . . .
Cl1 Cl 1.13283(14) 0.79857(12) 0.21749(6) 0.0517(4) Uani 1 1 d . . .
Cl2 Cl 0.88617(15) 0.68762(12) 0.09528(5) 0.0531(4) Uani 1 1 d . . .
O1 O 1.0488(4) 0.8700(3) 0.12245(14) 0.0469(11) Uani 1 1 d . . .
O2 O 0.7317(4) 1.2494(3) 0.10294(15) 0.0547(12) Uani 1 1 d . . .
O3 O 0.6230(6) 1.3553(4) 0.13512(18) 0.098(2) Uani 1 1 d . . .
O4 O 0.9354(4) 0.4100(3) 0.00112(12) 0.0517(12) Uani 1 1 d . . .
N1 N 1.0047(4) 0.5628(4) 0.20482(16) 0.0434(12) Uani 1 1 d . . .
N2 N 0.8485(4) 0.6318(3) 0.22533(17) 0.0455(13) Uani 1 1 d . . .
C1 C 0.9328(5) 0.6437(4) 0.19911(19) 0.0378(13) Uani 1 1 d . . .
C2 C 0.8557(7) 0.5366(5) 0.2481(3) 0.064(2) Uani 1 1 d . . .
H2A H 0.7855 0.4971 0.2387 0.077 Uiso 1 1 calc R . .
H2B H 0.8638 0.5451 0.2797 0.077 Uiso 1 1 calc R . .
C3 C 0.9655(6) 0.4920(5) 0.2346(3) 0.063(2) Uani 1 1 d . . .
H3A H 1.0263 0.4819 0.2597 0.075 Uiso 1 1 calc R . .
H3B H 0.9473 0.4300 0.2200 0.075 Uiso 1 1 calc R . .
C4 C 1.0953(5) 0.5409(4) 0.1779(2) 0.0442(15) Uani 1 1 d . . .
C5 C 1.2172(5) 0.5596(4) 0.1927(2) 0.0423(14) Uani 1 1 d . . .
C6 C 1.2976(6) 0.5423(5) 0.1634(2) 0.0492(16) Uani 1 1 d . . .
H6 H 1.3776 0.5582 0.1720 0.059 Uiso 1 1 calc R . .
C7 C 1.2667(6) 0.5036(5) 0.1229(2) 0.0522(17) Uani 1 1 d . . .
C8 C 1.1473(6) 0.4772(5) 0.1112(2) 0.0540(17) Uani 1 1 d . . .
H8 H 1.1251 0.4471 0.0843 0.065 Uiso 1 1 calc R . .
C9 C 1.0608(5) 0.4938(4) 0.1379(2) 0.0441(15) Uani 1 1 d . . .
C10 C 0.7510(5) 0.6965(4) 0.2315(2) 0.0384(14) Uani 1 1 d . . .
C11 C 0.6468(5) 0.6905(4) 0.2024(2) 0.0419(14) Uani 1 1 d . . .
C12 C 0.5512(5) 0.7503(5) 0.2103(2) 0.0522(16) Uani 1 1 d . . .
H12 H 0.4803 0.7489 0.1909 0.063 Uiso 1 1 calc R . .
C13 C 0.5601(6) 0.8120(5) 0.2468(2) 0.0512(17) Uani 1 1 d . . .
C14 C 0.6674(6) 0.8135(5) 0.2752(2) 0.0483(16) Uani 1 1 d . . .
H14 H 0.6740 0.8541 0.2996 0.058 Uiso 1 1 calc R . .
C15 C 0.7642(5) 0.7565(4) 0.2684(2) 0.0398(13) Uani 1 1 d . . .
C16 C 0.8777(6) 0.7606(5) 0.2993(2) 0.0622(19) Uani 1 1 d . . .
H16A H 0.8890 0.7001 0.3150 0.093 Uiso 1 1 calc R . .
H16B H 0.8737 0.8131 0.3196 0.093 Uiso 1 1 calc R . .
H16C H 0.9436 0.7713 0.2831 0.093 Uiso 1 1 calc R . .
C17 C 0.6355(6) 0.6254(5) 0.1629(2) 0.065(2) Uani 1 1 d . . .
H17A H 0.6963 0.6418 0.1452 0.097 Uiso 1 1 calc R . .
H17B H 0.5579 0.6340 0.1461 0.097 Uiso 1 1 calc R . .
H17C H 0.6449 0.5587 0.1722 0.097 Uiso 1 1 calc R . .
C18 C 0.4573(7) 0.8757(6) 0.2558(3) 0.082(3) Uani 1 1 d . . .
H18A H 0.3879 0.8611 0.2351 0.123 Uiso 1 1 calc R . .
H18B H 0.4786 0.9430 0.2531 0.123 Uiso 1 1 calc R . .
H18C H 0.4399 0.8637 0.2850 0.123 Uiso 1 1 calc R . .
C19 C 1.2622(6) 0.5908(5) 0.2382(2) 0.0588(18) Uani 1 1 d . . .
H19A H 1.1964 0.6137 0.2522 0.088 Uiso 1 1 calc R . .
H19B H 1.3195 0.6423 0.2374 0.088 Uiso 1 1 calc R . .
H19C H 1.2996 0.5365 0.2543 0.088 Uiso 1 1 calc R . .
C20 C 1.3584(7) 0.4882(6) 0.0921(3) 0.077(2) Uani 1 1 d . . .
H20A H 1.3851 0.5503 0.0827 0.115 Uiso 1 1 calc R . .
H20B H 1.3230 0.4517 0.0670 0.115 Uiso 1 1 calc R . .
H20C H 1.4254 0.4527 0.1069 0.115 Uiso 1 1 calc R . .
C21 C 0.9367(6) 0.4558(5) 0.1259(2) 0.063(2) Uani 1 1 d . . .
H21A H 0.9323 0.3901 0.1364 0.094 Uiso 1 1 calc R . .
H21B H 0.9162 0.4565 0.0946 0.094 Uiso 1 1 calc R . .
H21C H 0.8816 0.4962 0.1389 0.094 Uiso 1 1 calc R . .
C22 C 0.8719(5) 0.8467(4) 0.16944(18) 0.0386(14) Uani 1 1 d . . .
H22 H 0.8090 0.8356 0.1855 0.046 Uiso 1 1 calc R . .
C23 C 0.8876(5) 0.9407(4) 0.14916(19) 0.0370(13) Uani 1 1 d . . .
C24 C 0.9825(5) 0.9532(4) 0.1249(2) 0.0412(14) Uani 1 1 d . . .
C25 C 1.0047(6) 1.0429(4) 0.1064(2) 0.0476(16) Uani 1 1 d . . .
H25 H 1.0681 1.0507 0.0903 0.057 Uiso 1 1 calc R . .
C26 C 0.9294(6) 1.1206(5) 0.1127(2) 0.0548(18) Uani 1 1 d . . .
H26 H 0.9431 1.1809 0.1005 0.066 Uiso 1 1 calc R . .
C27 C 0.8358(6) 1.1108(4) 0.1364(2) 0.0453(15) Uani 1 1 d . . .
C28 C 0.8134(5) 1.0202(4) 0.15424(19) 0.0429(15) Uani 1 1 d . . .
H28 H 0.7485 1.0127 0.1696 0.051 Uiso 1 1 calc R . .
C29 C 0.7570(6) 1.1961(5) 0.1434(2) 0.0563(18) Uani 1 1 d . . .
H29A H 0.6829 1.1733 0.1526 0.068 Uiso 1 1 calc R . .
H29B H 0.7971 1.2382 0.1661 0.068 Uiso 1 1 calc R . .
C30 C 0.6615(6) 1.3285(5) 0.1033(2) 0.0536(17) Uani 1 1 d . . .
C31 C 0.6442(6) 1.3779(5) 0.0599(2) 0.0539(17) Uani 1 1 d . . .
H31A H 0.7100 1.4231 0.0588 0.065 Uiso 1 1 calc R . .
H31B H 0.5712 1.4162 0.0577 0.065 Uiso 1 1 calc R . .
C32 C 0.6365(6) 1.3114(5) 0.0199(2) 0.0522(17) Uani 1 1 d . . .
H32A H 0.7079 1.2711 0.0223 0.063 Uiso 1 1 calc R . .
H32B H 0.6351 1.3513 -0.0062 0.063 Uiso 1 1 calc R . .
C33 C 0.5248(6) 1.2445(5) 0.0145(2) 0.0572(18) Uani 1 1 d . . .
H33A H 0.5241 1.2067 0.0411 0.069 Uiso 1 1 calc R . .
H33B H 0.4533 1.2846 0.0105 0.069 Uiso 1 1 calc R . .
C34 C 0.5223(6) 1.1776(5) -0.0231(2) 0.0524(17) Uani 1 1 d . . .
C35 C 0.5887(5) 1.0914(5) -0.0212(2) 0.0472(16) Uani 1 1 d . . .
C36 C 0.6610(6) 1.0576(5) 0.0180(2) 0.0513(17) Uani 1 1 d . . .
H36 H 0.6645 1.0952 0.0433 0.062 Uiso 1 1 calc R . .
C37 C 0.7233(6) 0.9748(5) 0.0196(2) 0.0565(18) Uani 1 1 d . . .
H37 H 0.7683 0.9560 0.0458 0.068 Uiso 1 1 calc R . .
C38 C 0.7223(6) 0.9143(5) -0.0183(2) 0.0542(17) Uani 1 1 d . . .
C39 C 0.7874(7) 0.8265(6) -0.0187(3) 0.077(2) Uani 1 1 d . . .
H39 H 0.8327 0.8053 0.0071 0.092 Uiso 1 1 calc R . .
C40 C 0.7862(8) 0.7720(7) -0.0554(4) 0.084(3) Uani 1 1 d . . .
H40 H 0.8309 0.7148 -0.0543 0.100 Uiso 1 1 calc R . .
C41 C 0.7229(8) 0.7984(7) -0.0929(4) 0.081(3) Uani 1 1 d . . .
H41 H 0.7228 0.7586 -0.1174 0.097 Uiso 1 1 calc R . .
C42 C 0.6548(7) 0.8861(6) -0.0967(3) 0.066(2) Uani 1 1 d . . .
C43 C 0.5872(8) 0.9180(7) -0.1358(3) 0.079(3) Uani 1 1 d . . .
H43 H 0.5875 0.8812 -0.1612 0.095 Uiso 1 1 calc R . .
C44 C 0.5210(7) 1.0015(7) -0.1376(3) 0.077(2) Uani 1 1 d . . .
H44 H 0.4770 1.0200 -0.1641 0.092 Uiso 1 1 calc R . .
C45 C 0.5176(6) 1.0614(6) -0.0995(2) 0.0572(18) Uani 1 1 d . . .
C46 C 0.4493(6) 1.1449(6) -0.0993(3) 0.067(2) Uani 1 1 d . . .
H46 H 0.3998 1.1630 -0.1248 0.080 Uiso 1 1 calc R . .
C47 C 0.4527(6) 1.2022(6) -0.0625(3) 0.067(2) Uani 1 1 d . . .
H47 H 0.4071 1.2589 -0.0639 0.080 Uiso 1 1 calc R . .
C48 C 0.5886(6) 1.0326(5) -0.0594(2) 0.0516(17) Uani 1 1 d . . .
C49 C 0.6560(6) 0.9441(5) -0.0581(2) 0.0524(17) Uani 1 1 d . . .
C50 C 1.1457(5) 0.8672(5) 0.0942(2) 0.0514(17) Uani 1 1 d . . .
H50 H 1.1961 0.9253 0.0998 0.062 Uiso 1 1 calc R . .
C51 C 1.2179(6) 0.7789(5) 0.1077(3) 0.071(2) Uani 1 1 d . . .
H51A H 1.2507 0.7842 0.1381 0.106 Uiso 1 1 calc R . .
H51B H 1.2819 0.7732 0.0903 0.106 Uiso 1 1 calc R . .
H51C H 1.1678 0.7221 0.1036 0.106 Uiso 1 1 calc R . .
C52 C 1.0906(6) 0.8659(6) 0.0463(2) 0.066(2) Uani 1 1 d . . .
H52A H 1.1530 0.8686 0.0280 0.099 Uiso 1 1 calc R . .
H52B H 1.0386 0.9212 0.0403 0.099 Uiso 1 1 calc R . .
H52C H 1.0452 0.8069 0.0403 0.099 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'
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'
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'
H H 0.0000 0.0000 '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
C22 Ru C1 102.7(2) . . ?
C22 Ru O1 80.1(2) . . ?
C1 Ru O1 175.87(19) . . ?
C22 Ru Cl1 98.34(19) . . ?
C1 Ru Cl1 91.06(17) . . ?
O1 Ru Cl1 85.52(12) . . ?
C22 Ru Cl2 98.07(19) . . ?
C1 Ru Cl2 95.94(17) . . ?
O1 Ru Cl2 86.57(12) . . ?
Cl1 Ru Cl2 160.27(6) . . ?
C24 O1 C50 120.2(4) . . ?
C24 O1 Ru 110.4(3) . . ?
C50 O1 Ru 129.3(3) . . ?
C30 O2 C29 116.8(5) . . ?
C1 N1 C4 123.4(5) . . ?
C1 N1 C3 113.5(5) . . ?
C4 N1 C3 122.1(5) . . ?
C1 N2 C10 128.3(5) . . ?
C1 N2 C2 113.4(5) . . ?
C10 N2 C2 118.2(5) . . ?
N2 C1 N1 106.3(5) . . ?
N2 C1 Ru 135.3(4) . . ?
N1 C1 Ru 118.1(4) . . ?
N2 C2 C3 102.9(5) . . ?
N1 C3 C2 103.9(5) . . ?
C9 C4 C5 120.7(5) . . ?
C9 C4 N1 118.2(6) . . ?
C5 C4 N1 120.9(6) . . ?
C6 C5 C4 116.9(6) . . ?
C6 C5 C19 119.6(6) . . ?
C4 C5 C19 123.4(6) . . ?
C7 C6 C5 123.9(6) . . ?
C6 C7 C8 117.2(6) . . ?
C6 C7 C20 121.4(7) . . ?
C8 C7 C20 121.4(7) . . ?
C9 C8 C7 122.8(6) . . ?
C8 C9 C4 117.9(6) . . ?
C8 C9 C21 120.8(6) . . ?
C4 C9 C21 121.2(6) . . ?
C11 C10 C15 123.5(5) . . ?
C11 C10 N2 118.3(5) . . ?
C15 C10 N2 118.1(5) . . ?
C10 C11 C12 117.3(6) . . ?
C10 C11 C17 122.2(6) . . ?
C12 C11 C17 120.5(6) . . ?
C13 C12 C11 121.4(6) . . ?
C12 C13 C14 118.3(6) . . ?
C12 C13 C18 121.8(7) . . ?
C14 C13 C18 119.9(7) . . ?
C15 C14 C13 122.1(6) . . ?
C14 C15 C10 117.4(6) . . ?
C14 C15 C16 120.6(6) . . ?
C10 C15 C16 122.0(6) . . ?
C23 C22 Ru 117.4(4) . . ?
C24 C23 C28 118.6(5) . . ?
C24 C23 C22 119.1(5) . . ?
C28 C23 C22 122.3(5) . . ?
O1 C24 C23 113.0(5) . . ?
O1 C24 C25 125.6(5) . . ?
C23 C24 C25 121.4(5) . . ?
C26 C25 C24 118.2(6) . . ?
C27 C26 C25 121.9(6) . . ?
C26 C27 C28 119.5(6) . . ?
C26 C27 C29 120.9(6) . . ?
C28 C27 C29 119.6(6) . . ?
C27 C28 C23 120.5(6) . . ?
O2 C29 C27 108.8(5) . . ?
O3 C30 O2 122.6(7) . . ?
O3 C30 C31 125.8(6) . . ?
O2 C30 C31 111.5(6) . . ?
C30 C31 C32 116.1(6) . . ?
C31 C32 C33 113.3(5) . . ?
C34 C33 C32 112.4(5) . . ?
C35 C34 C47 118.4(7) . . ?
C35 C34 C33 122.8(6) . . ?
C47 C34 C33 118.8(7) . . ?
C34 C35 C48 120.3(6) . . ?
C34 C35 C36 123.1(6) . . ?
C48 C35 C36 116.5(6) . . ?
C37 C36 C35 122.8(7) . . ?
C36 C37 C38 121.2(7) . . ?
C39 C38 C49 117.1(7) . . ?
C39 C38 C37 123.7(8) . . ?
C49 C38 C37 119.1(6) . . ?
C40 C39 C38 122.1(9) . . ?
C41 C40 C39 121.4(9) . . ?
C40 C41 C42 121.6(8) . . ?
C43 C42 C49 118.9(8) . . ?
C43 C42 C41 123.8(8) . . ?
C49 C42 C41 117.3(8) . . ?
C44 C43 C42 121.7(8) . . ?
C43 C44 C45 121.6(8) . . ?
C46 C45 C48 118.2(7) . . ?
C46 C45 C44 123.7(8) . . ?
C48 C45 C44 118.1(8) . . ?
C45 C46 C47 121.6(7) . . ?
C46 C47 C34 122.0(8) . . ?
C45 C48 C49 119.3(7) . . ?
C45 C48 C35 119.5(7) . . ?
C49 C48 C35 121.1(6) . . ?
C38 C49 C42 120.5(7) . . ?
C38 C49 C48 119.2(6) . . ?
C42 C49 C48 120.3(7) . . ?
O1 C50 C51 106.0(5) . . ?
O1 C50 C52 109.4(5) . . ?
C51 C50 C52 113.4(6) . . ?
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
Ru C22 1.834(5) . ?
Ru C1 1.979(6) . ?
Ru O1 2.236(4) . ?
Ru Cl1 2.3399(17) . ?
Ru Cl2 2.3492(17) . ?
O1 C24 1.371(7) . ?
O1 C50 1.486(6) . ?
O2 C30 1.344(7) . ?
O2 C29 1.438(7) . ?
O3 C30 1.184(8) . ?
N1 C1 1.371(7) . ?
N1 C4 1.432(7) . ?
N1 C3 1.444(7) . ?
N2 C1 1.338(7) . ?
N2 C10 1.445(7) . ?
N2 C2 1.479(8) . ?
C2 C3 1.491(9) . ?
C4 C9 1.399(9) . ?
C4 C5 1.411(8) . ?
C5 C6 1.384(8) . ?
C5 C19 1.484(9) . ?
C6 C7 1.357(9) . ?
C7 C8 1.393(9) . ?
C7 C20 1.510(9) . ?
C8 C9 1.375(8) . ?
C9 C21 1.492(8) . ?
C10 C11 1.379(8) . ?
C10 C15 1.393(8) . ?
C11 C12 1.402(8) . ?
C11 C17 1.499(8) . ?
C12 C13 1.399(9) . ?
C13 C14 1.393(9) . ?
C13 C18 1.507(9) . ?
C14 C15 1.382(8) . ?
C15 C16 1.487(9) . ?
C22 C23 1.453(8) . ?
C23 C24 1.396(8) . ?
C23 C28 1.396(8) . ?
C24 C25 1.393(8) . ?
C25 C26 1.392(8) . ?
C26 C27 1.368(8) . ?
C27 C28 1.395(8) . ?
C27 C29 1.502(8) . ?
C30 C31 1.487(9) . ?
C31 C32 1.525(9) . ?
C32 C33 1.548(9) . ?
C33 C34 1.473(9) . ?
C34 C35 1.397(9) . ?
C34 C47 1.393(10) . ?
C35 C48 1.425(9) . ?
C35 C36 1.437(9) . ?
C36 C37 1.332(9) . ?
C37 C38 1.431(10) . ?
C38 C39 1.411(10) . ?
C38 C49 1.405(10) . ?
C39 C40 1.353(12) . ?
C40 C41 1.322(12) . ?
C41 C42 1.423(12) . ?
C42 C43 1.404(12) . ?
C42 C49 1.428(9) . ?
C43 C44 1.363(12) . ?
C44 C45 1.436(11) . ?
C45 C46 1.380(11) . ?
C45 C48 1.433(9) . ?
C46 C47 1.376(10) . ?
C48 C49 1.429(10) . ?
C50 C51 1.487(9) . ?
C50 C52 1.521(10) . ?
