#------------------------------------------------------------------------------
#$Date: 2016-03-25 12:57:49 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179820 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/16/7011693.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_7011693
loop_
_publ_author_name
'Richardson, Chris'
'Steel, Peter J.'
'D'Alessandro, Deanna M.'
'Junk, Peter C.'
'Keene, F. Richard'
_publ_section_title
;
 Mono- and di-nuclear complexes of the ligands
 3,4-di(2-pyridyl)-1,2,5-oxadiazole and
 3,4-di(2-pyridyl)-1,2,5-thiadiazole; new bridges allowing unusually
 strong metal--metal interactions
;
_journal_issue                   13
_journal_name_full
'Journal of the Chemical Society, Dalton Transactions'
_journal_page_first              2775
_journal_paper_doi               10.1039/b202954e
_journal_year                    2002
_chemical_formula_sum            'C52 H52 Cl8 N12 O7 Ru2 Zn2'
_chemical_formula_weight         1573.54
_chemical_name_systematic
;
?
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 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                 92.55(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.743(3)
_cell_length_b                   21.685(4)
_cell_length_c                   21.332(4)
_cell_measurement_temperature    296(2)
_cell_volume                     6351(2)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_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  0.0532
_diffrn_reflns_av_sigmaI/netI    0.0497
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -18
_diffrn_reflns_limit_k_max       22
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            40138
_diffrn_reflns_theta_full        28.05
_diffrn_reflns_theta_max         28.05
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    1.607
_exptl_absorpt_correction_T_max  0.6442
_exptl_absorpt_correction_T_min  0.5657
_exptl_crystal_density_diffrn    1.646
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             3152
_exptl_crystal_size_max          0.40
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.089
_refine_diff_density_min         -1.023
_refine_diff_density_rms         0.133
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.009
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     739
_refine_ls_number_reflns         14862
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0897
_refine_ls_R_factor_gt           0.0566
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0956P)²+11.4363P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1504
_refine_ls_wR_factor_ref         0.1815
_reflns_number_gt                9948
_reflns_number_total             14862
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b202954e.txt
_cod_data_source_block           c:\djunkie\xtals\keene\deanna~1\pj382
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7011693
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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
Ru1 Ru 0.29743(3) 0.254670(17) 0.486070(17) 0.03349(11) Uani 1 1 d . . .
Zn1 Zn 0.19884(5) 0.53736(3) 0.40332(3) 0.04749(17) Uani 1 1 d . . .
Cl1 Cl 0.04838(12) 0.51662(8) 0.35911(9) 0.0634(4) Uani 1 1 d . . .
O1 O 0.3085(2) 0.23183(16) 0.62700(15) 0.0372(7) Uani 1 1 d . . .
N1 N 0.1716(3) 0.30801(18) 0.48426(18) 0.0345(8) Uani 1 1 d . . .
C1 C 0.1288(4) 0.3330(3) 0.4321(2) 0.0443(12) Uani 1 1 d . . .
H1 H 0.1501 0.3208 0.3932 0.053 Uiso 1 1 calc R . .
Ru2 Ru 0.30815(3) 0.247730(18) 0.768230(17) 0.03386(11) Uani 1 1 d . . .
Zn2 Zn 0.44772(5) 0.39985(3) 1.11930(3) 0.05276(19) Uani 1 1 d . . .
Cl2 Cl 0.21047(13) 0.52765(8) 0.50921(7) 0.0606(4) Uani 1 1 d . . .
O7 O -0.0801(5) 0.4682(4) 0.8809(3) 0.121(3) Uani 1 1 d . . .
N2 N 0.2601(3) 0.25702(17) 0.57457(19) 0.0336(8) Uani 1 1 d . . .
C2 C 0.0552(4) 0.3758(3) 0.4338(3) 0.0521(14) Uani 1 1 d . . .
H2 H 0.0277 0.3922 0.3969 0.062 Uiso 1 1 calc R . .
Cl3 Cl 0.31084(13) 0.47247(8) 0.36562(8) 0.0628(4) Uani 1 1 d . . .
O3 O 0.1753(4) 0.5107(3) 1.0113(3) 0.0946(18) Uani 1 1 d . . .
N3 N 0.2624(3) 0.25317(18) 0.67894(19) 0.0347(8) Uani 1 1 d . . .
C3 C 0.0229(5) 0.3938(3) 0.4908(3) 0.0627(17) Uani 1 1 d . . .
H3 H -0.0247 0.4241 0.4932 0.075 Uiso 1 1 calc R . .
Cl4 Cl 0.21925(12) 0.63896(7) 0.37567(7) 0.0561(4) Uani 1 1 d . . .
O4 O 0.1960(4) 0.5288(3) 1.2288(3) 0.0886(17) Uani 1 1 d . . .
N4 N 0.1841(3) 0.30302(19) 0.76918(19) 0.0383(9) Uani 1 1 d . . .
C4 C 0.0622(5) 0.3663(3) 0.5450(3) 0.0530(14) Uani 1 1 d . . .
H4 H 0.0391 0.3768 0.5839 0.064 Uiso 1 1 calc R . .
Cl5 Cl 0.49803(14) 0.30069(8) 1.12770(8) 0.0669(4) Uani 1 1 d . . .
N5 N 0.2193(3) 0.17783(19) 0.45603(19) 0.0382(9) Uani 1 1 d . . .
C5 C 0.1351(4) 0.3234(2) 0.5409(2) 0.0360(10) Uani 1 1 d . . .
Cl6 Cl 0.35687(18) 0.43025(12) 1.19870(10) 0.0946(7) Uani 1 1 d . . .
N6 N 0.3191(3) 0.25603(19) 0.3911(2) 0.0396(9) Uani 1 1 d . . .
C6 C 0.1877(3) 0.2919(2) 0.5929(2) 0.0346(10) Uani 1 1 d . . .
Cl7 Cl 0.36419(14) 0.41876(9) 1.02770(9) 0.0740(5) Uani 1 1 d . . .
N7 N 0.3885(3) 0.3284(2) 0.50852(19) 0.0393(9) Uani 1 1 d . . .
C7 C 0.1880(3) 0.2889(2) 0.6605(2) 0.0341(10) Uani 1 1 d . . .
Cl8 Cl 0.58653(16) 0.45815(10) 1.12710(9) 0.0807(6) Uani 1 1 d . . .
N8 N 0.4295(3) 0.2099(2) 0.5008(2) 0.0419(10) Uani 1 1 d . . .
C8 C 0.1367(4) 0.3145(2) 0.7131(2) 0.0370(10) Uani 1 1 d . . .
N9 N 0.2202(3) 0.17644(19) 0.79648(19) 0.0376(9) Uani 1 1 d . . .
C9 C 0.0495(4) 0.3461(3) 0.7086(3) 0.0525(14) Uani 1 1 d . . .
H9 H 0.0170 0.3518 0.6699 0.063 Uiso 1 1 calc R . .
N10 N 0.3407(3) 0.24577(19) 0.86395(19) 0.0375(9) Uani 1 1 d . . .
C10 C 0.0111(5) 0.3695(3) 0.7631(3) 0.0631(18) Uani 1 1 d . . .
H10 H -0.0468 0.3918 0.7613 0.076 Uiso 1 1 calc R . .
N11 N 0.4318(3) 0.1972(2) 0.7523(2) 0.0449(10) Uani 1 1 d . . .
C11 C 0.0601(5) 0.3590(3) 0.8191(3) 0.0660(19) Uani 1 1 d . . .
H11 H 0.0367 0.3752 0.8559 0.079 Uiso 1 1 calc R . .
N12 N 0.4054(4) 0.3166(2) 0.7482(2) 0.0450(10) Uani 1 1 d . . .
C12 C 0.1433(5) 0.3248(3) 0.8212(3) 0.0540(15) Uani 1 1 d . . .
H12 H 0.1733 0.3161 0.8601 0.065 Uiso 1 1 calc R . .
C13 C 0.1647(4) 0.1416(3) 0.4927(3) 0.0484(13) Uani 1 1 d . . .
H13 H 0.1620 0.1504 0.5353 0.058 Uiso 1 1 calc R . .
C14 C 0.1123(5) 0.0911(3) 0.4677(3) 0.0582(16) Uani 1 1 d . . .
H14 H 0.0757 0.0666 0.4936 0.070 Uiso 1 1 calc R . .
C15 C 0.1149(5) 0.0785(3) 0.4067(3) 0.0626(17) Uani 1 1 d . . .
H15 H 0.0786 0.0459 0.3896 0.075 Uiso 1 1 calc R . .
C16 C 0.1723(5) 0.1144(3) 0.3687(3) 0.0569(15) Uani 1 1 d . . .
H16 H 0.1765 0.1051 0.3263 0.068 Uiso 1 1 calc R . .
C17 C 0.2229(4) 0.1640(2) 0.3950(2) 0.0414(11) Uani 1 1 d . . .
C18 C 0.2813(4) 0.2068(3) 0.3585(2) 0.0430(12) Uani 1 1 d . . .
C19 C 0.2960(5) 0.2000(3) 0.2942(3) 0.0537(14) Uani 1 1 d . . .
H19 H 0.2729 0.1653 0.2727 0.064 Uiso 1 1 calc R . .
C20 C 0.3450(6) 0.2451(4) 0.2634(3) 0.0653(18) Uani 1 1 d . . .
H20 H 0.3542 0.2415 0.2207 0.078 Uiso 1 1 calc R . .
C21 C 0.3804(5) 0.2957(4) 0.2961(3) 0.0653(18) Uani 1 1 d . . .
H21 H 0.4129 0.3270 0.2758 0.078 Uiso 1 1 calc R . .
C22 C 0.3666(5) 0.2990(3) 0.3595(3) 0.0542(14) Uani 1 1 d . . .
H22 H 0.3916 0.3330 0.3815 0.065 Uiso 1 1 calc R . .
C23 C 0.3621(4) 0.3876(3) 0.5116(3) 0.0472(12) Uani 1 1 d . . .
H23 H 0.2982 0.3983 0.5001 0.057 Uiso 1 1 calc R . .
C24 C 0.4269(5) 0.4338(3) 0.5313(3) 0.0583(16) Uani 1 1 d . . .
H24 H 0.4065 0.4746 0.5331 0.070 Uiso 1 1 calc R . .
C25 C 0.5205(5) 0.4184(3) 0.5477(3) 0.0635(17) Uani 1 1 d . . .
H25 H 0.5650 0.4486 0.5607 0.076 Uiso 1 1 calc R . .
C26 C 0.5485(5) 0.3570(3) 0.5448(3) 0.0571(15) Uani 1 1 d . . .
H26 H 0.6121 0.3457 0.5563 0.069 Uiso 1 1 calc R . .
C27 C 0.4823(4) 0.3131(3) 0.5248(3) 0.0461(12) Uani 1 1 d . . .
C28 C 0.5053(4) 0.2473(3) 0.5196(3) 0.0493(13) Uani 1 1 d . . .
C29 C 0.5976(5) 0.2226(4) 0.5339(4) 0.075(2) Uani 1 1 d . . .
H29 H 0.6484 0.2481 0.5479 0.090 Uiso 1 1 calc R . .
C30 C 0.6127(6) 0.1599(4) 0.5272(4) 0.085(3) Uani 1 1 d . . .
H30 H 0.6741 0.1430 0.5355 0.102 Uiso 1 1 calc R . .
C31 C 0.5357(7) 0.1229(4) 0.5079(4) 0.083(2) Uani 1 1 d . . .
H31 H 0.5446 0.0807 0.5033 0.100 Uiso 1 1 calc R . .
C32 C 0.4444(5) 0.1492(3) 0.4954(3) 0.0575(15) Uani 1 1 d . . .
H32 H 0.3924 0.1238 0.4830 0.069 Uiso 1 1 calc R . .
C33 C 0.1569(4) 0.1441(3) 0.7594(3) 0.0492(13) Uani 1 1 d . . .
H33 H 0.1574 0.1500 0.7162 0.059 Uiso 1 1 calc R . .
C34 C 0.0915(5) 0.1027(3) 0.7825(3) 0.0561(15) Uani 1 1 d . . .
H34 H 0.0471 0.0823 0.7556 0.067 Uiso 1 1 calc R . .
C35 C 0.0930(5) 0.0919(3) 0.8465(3) 0.0611(17) Uani 1 1 d . . .
H35 H 0.0508 0.0633 0.8631 0.073 Uiso 1 1 calc R . .
C36 C 0.1574(5) 0.1238(3) 0.8849(3) 0.0556(15) Uani 1 1 d . . .
H36 H 0.1590 0.1173 0.9280 0.067 Uiso 1 1 calc R . .
C37 C 0.2207(4) 0.1659(2) 0.8591(2) 0.0400(11) Uani 1 1 d . . .
C38 C 0.2919(4) 0.2027(2) 0.8966(2) 0.0394(11) Uani 1 1 d . . .
C39 C 0.3078(5) 0.1966(3) 0.9611(2) 0.0503(14) Uani 1 1 d . . .
H39 H 0.2741 0.1670 0.9830 0.060 Uiso 1 1 calc R . .
C40 C 0.3738(5) 0.2348(3) 0.9924(3) 0.0550(15) Uani 1 1 d . . .
H40 H 0.3853 0.2311 1.0355 0.066 Uiso 1 1 calc R . .
C41 C 0.4221(5) 0.2781(3) 0.9595(3) 0.0528(14) Uani 1 1 d . . .
H41 H 0.4659 0.3047 0.9801 0.063 Uiso 1 1 calc R . .
C42 C 0.4057(4) 0.2820(3) 0.8954(3) 0.0475(13) Uani 1 1 d . . .
H42 H 0.4406 0.3107 0.8731 0.057 Uiso 1 1 calc R . .
C43 C 0.4412(5) 0.1356(3) 0.7567(3) 0.0630(17) Uani 1 1 d . . .
H43 H 0.3894 0.1127 0.7710 0.076 Uiso 1 1 calc R . .
C44 C 0.5238(7) 0.1054(4) 0.7410(4) 0.092(3) Uani 1 1 d . . .
H44 H 0.5277 0.0628 0.7449 0.110 Uiso 1 1 calc R . .
C45 C 0.6004(8) 0.1379(5) 0.7197(6) 0.108(3) Uani 1 1 d . . .
H45 H 0.6571 0.1178 0.7090 0.129 Uiso 1 1 calc R . .
C46 C 0.5928(6) 0.1996(5) 0.7145(5) 0.093(3) Uani 1 1 d . . .
H46 H 0.6444 0.2222 0.6995 0.112 Uiso 1 1 calc R . .
C47 C 0.5072(4) 0.2304(3) 0.7315(3) 0.0554(15) Uani 1 1 d . . .
C48 C 0.4938(4) 0.2979(3) 0.7292(3) 0.0510(14) Uani 1 1 d . . .
C49 C 0.5623(5) 0.3403(4) 0.7107(3) 0.069(2) Uani 1 1 d . . .
H49 H 0.6218 0.3268 0.6968 0.083 Uiso 1 1 calc R . .
C50 C 0.5421(6) 0.4026(4) 0.7129(4) 0.081(2) Uani 1 1 d . . .
H50 H 0.5874 0.4314 0.7005 0.097 Uiso 1 1 calc R . .
C51 C 0.4552(7) 0.4207(4) 0.7335(4) 0.081(2) Uani 1 1 d . . .
H51 H 0.4412 0.4625 0.7368 0.098 Uiso 1 1 calc R . .
C52 C 0.3870(4) 0.3774(2) 0.7496(2) 0.0624(17) Uani 1 1 d . . .
H52 H 0.3264 0.3908 0.7618 0.075 Uiso 1 1 calc R . .
O5 O 0.2184(4) 0.4997(2) 0.7809(2) 0.186(4) Uani 1 1 d R . .
O2 O 0.2916(4) 0.4155(2) 0.8854(2) 0.212(6) Uani 1 1 d R . .
O6 O 0.1009(4) 0.5160(2) 0.8892(2) 0.226(6) Uani 1 1 d 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'
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'
Zn Zn 0.2839 1.4301 '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
N2 Ru1 N6 172.90(17) . . ?
N2 Ru1 N5 99.39(16) . . ?
N6 Ru1 N5 78.62(17) . . ?
N2 Ru1 N8 97.48(17) . . ?
N6 Ru1 N8 89.53(17) . . ?
N5 Ru1 N8 96.23(18) . . ?
N2 Ru1 N7 86.52(17) . . ?
N6 Ru1 N7 95.96(17) . . ?
N5 Ru1 N7 172.94(17) . . ?
N8 Ru1 N7 79.07(18) . . ?
N2 Ru1 N1 75.68(16) . . ?
N6 Ru1 N1 97.48(17) . . ?
N5 Ru1 N1 91.30(16) . . ?
N8 Ru1 N1 170.61(17) . . ?
N7 Ru1 N1 93.93(16) . . ?
Cl3 Zn1 Cl2 106.13(7) . . ?
Cl3 Zn1 Cl1 110.47(7) . . ?
Cl2 Zn1 Cl1 114.61(8) . . ?
Cl3 Zn1 Cl4 114.35(7) . . ?
Cl2 Zn1 Cl4 109.89(7) . . ?
Cl1 Zn1 Cl4 101.63(6) . . ?
N3 O1 N2 107.1(3) . . ?
C1 N1 C5 117.8(4) . . ?
C1 N1 Ru1 124.8(4) . . ?
C5 N1 Ru1 117.1(3) . . ?
N1 C1 C2 122.9(5) . . ?
N3 Ru2 N12 86.46(17) . . ?
N3 Ru2 N11 95.85(17) . . ?
N12 Ru2 N11 78.70(19) . . ?
N3 Ru2 N9 99.19(16) . . ?
N12 Ru2 N9 173.96(17) . . ?
N11 Ru2 N9 98.50(18) . . ?
N3 Ru2 N10 173.57(17) . . ?
N12 Ru2 N10 96.07(17) . . ?
N11 Ru2 N10 90.45(17) . . ?
N9 Ru2 N10 78.52(16) . . ?
N3 Ru2 N4 75.55(17) . . ?
N12 Ru2 N4 97.07(18) . . ?
N11 Ru2 N4 170.74(16) . . ?
N9 Ru2 N4 86.46(16) . . ?
N10 Ru2 N4 98.24(17) . . ?
Cl6 Zn2 Cl7 108.70(9) . . ?
Cl6 Zn2 Cl5 113.39(8) . . ?
Cl7 Zn2 Cl5 112.49(7) . . ?
Cl6 Zn2 Cl8 105.81(10) . . ?
Cl7 Zn2 Cl8 110.64(9) . . ?
Cl5 Zn2 Cl8 105.57(9) . . ?
C6 N2 O1 109.1(4) . . ?
C6 N2 Ru1 121.8(3) . . ?
O1 N2 Ru1 128.5(3) . . ?
C3 C2 C1 119.0(5) . . ?
C7 N3 O1 109.4(4) . . ?
C7 N3 Ru2 121.8(3) . . ?
O1 N3 Ru2 127.8(3) . . ?
C2 C3 C4 119.1(6) . . ?
C12 N4 C8 117.3(5) . . ?
C12 N4 Ru2 125.4(4) . . ?
C8 N4 Ru2 117.1(3) . . ?
C5 C4 C3 119.8(6) . . ?
C17 N5 C13 118.4(5) . . ?
C17 N5 Ru1 116.1(3) . . ?
C13 N5 Ru1 125.5(4) . . ?
N1 C5 C4 121.2(5) . . ?
N1 C5 C6 111.5(4) . . ?
C4 C5 C6 127.2(5) . . ?
C22 N6 C18 118.1(5) . . ?
C22 N6 Ru1 126.9(4) . . ?
C18 N6 Ru1 115.0(3) . . ?
N2 C6 C7 107.5(4) . . ?
N2 C6 C5 113.2(4) . . ?
C7 C6 C5 139.2(4) . . ?
C23 N7 C27 118.5(5) . . ?
C23 N7 Ru1 126.1(4) . . ?
C27 N7 Ru1 115.3(4) . . ?
N3 C7 C6 106.9(4) . . ?
N3 C7 C8 112.7(4) . . ?
C6 C7 C8 140.3(4) . . ?
C32 N8 C28 119.4(5) . . ?
C32 N8 Ru1 125.8(4) . . ?
C28 N8 Ru1 114.7(4) . . ?
N4 C8 C9 122.1(5) . . ?
N4 C8 C7 112.2(4) . . ?
C9 C8 C7 125.7(5) . . ?
C33 N9 C37 117.8(5) . . ?
C33 N9 Ru2 126.1(4) . . ?
C37 N9 Ru2 115.8(3) . . ?
C8 C9 C10 119.0(6) . . ?
C42 N10 C38 118.4(4) . . ?
C42 N10 Ru2 126.1(4) . . ?
C38 N10 Ru2 115.4(3) . . ?
C11 C10 C9 118.6(6) . . ?
C43 N11 C47 118.6(5) . . ?
C43 N11 Ru2 126.3(5) . . ?
C47 N11 Ru2 114.9(4) . . ?
C12 C11 C10 120.0(6) . . ?
C52 N12 C48 118.1(5) . . ?
C52 N12 Ru2 125.6(4) . . ?
C48 N12 Ru2 116.2(4) . . ?
N4 C12 C11 122.9(6) . . ?
N5 C13 C14 121.3(5) . . ?
C15 C14 C13 119.8(6) . . ?
C14 C15 C16 119.7(6) . . ?
C17 C16 C15 118.9(6) . . ?
N5 C17 C16 121.8(5) . . ?
N5 C17 C18 114.7(5) . . ?
C16 C17 C18 123.5(5) . . ?
N6 C18 C19 120.9(5) . . ?
N6 C18 C17 115.3(4) . . ?
C19 C18 C17 123.8(5) . . ?
C20 C19 C18 119.2(6) . . ?
C19 C20 C21 119.7(6) . . ?
C22 C21 C20 118.5(6) . . ?
N6 C22 C21 123.4(6) . . ?
N7 C23 C24 122.3(6) . . ?
C25 C24 C23 119.1(6) . . ?
C24 C25 C26 119.0(6) . . ?
C27 C26 C25 119.9(6) . . ?
N7 C27 C26 121.3(6) . . ?
N7 C27 C28 114.9(5) . . ?
C26 C27 C28 123.8(6) . . ?
N8 C28 C29 120.6(6) . . ?
N8 C28 C27 115.8(5) . . ?
C29 C28 C27 123.5(6) . . ?
C30 C29 C28 119.5(7) . . ?
C31 C30 C29 119.1(7) . . ?
C30 C31 C32 119.6(7) . . ?
N8 C32 C31 121.7(7) . . ?
N9 C33 C34 123.0(5) . . ?
C33 C34 C35 118.8(6) . . ?
C36 C35 C34 119.1(6) . . ?
C35 C36 C37 119.7(6) . . ?
N9 C37 C36 121.6(5) . . ?
N9 C37 C38 114.8(4) . . ?
C36 C37 C38 123.6(5) . . ?
N10 C38 C39 120.9(5) . . ?
N10 C38 C37 115.1(4) . . ?
C39 C38 C37 123.9(5) . . ?
C40 C39 C38 119.5(5) . . ?
C41 C40 C39 119.4(5) . . ?
C40 C41 C42 119.4(6) . . ?
N10 C42 C41 122.4(5) . . ?
N11 C43 C44 122.5(8) . . ?
C45 C44 C43 119.9(9) . . ?
C46 C45 C44 118.9(8) . . ?
C45 C46 C47 120.7(9) . . ?
N11 C47 C46 119.5(7) . . ?
N11 C47 C48 116.2(5) . . ?
C46 C47 C48 124.3(7) . . ?
N12 C48 C49 120.9(7) . . ?
N12 C48 C47 113.5(5) . . ?
C49 C48 C47 125.6(6) . . ?
C50 C49 C48 120.0(7) . . ?
C51 C50 C49 118.6(7) . . ?
C50 C51 C52 120.2(8) . . ?
N12 C52 C51 122.1(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
Ru1 N2 1.979(4) . ?
Ru1 N6 2.061(4) . ?
Ru1 N5 2.068(4) . ?
Ru1 N8 2.069(4) . ?
Ru1 N7 2.073(4) . ?
Ru1 N1 2.079(4) . ?
Zn1 Cl3 2.2596(17) . ?
Zn1 Cl2 2.2672(17) . ?
Zn1 Cl1 2.2790(18) . ?
Zn1 Cl4 2.3012(17) . ?
O1 N3 1.381(5) . ?
O1 N2 1.388(5) . ?
N1 C1 1.349(6) . ?
N1 C5 1.369(6) . ?
C1 C2 1.374(8) . ?
Ru2 N3 1.983(4) . ?
Ru2 N12 2.061(5) . ?
Ru2 N11 2.062(5) . ?
Ru2 N9 2.069(4) . ?
Ru2 N10 2.071(4) . ?
Ru2 N4 2.085(4) . ?
Zn2 Cl6 2.247(2) . ?
Zn2 Cl7 2.259(2) . ?
Zn2 Cl5 2.2634(18) . ?
Zn2 Cl8 2.288(2) . ?
N2 C6 1.323(6) . ?
C2 C3 1.370(9) . ?
N3 C7 1.328(6) . ?
C3 C4 1.388(9) . ?
N4 C12 1.351(7) . ?
N4 C8 1.359(7) . ?
C4 C5 1.372(7) . ?
N5 C17 1.340(7) . ?
N5 C13 1.359(7) . ?
C5 C6 1.466(7) . ?
N6 C22 1.338(7) . ?
N6 C18 1.364(7) . ?
C6 C7 1.443(7) . ?
N7 C23 1.337(7) . ?
N7 C27 1.361(7) . ?
C7 C8 1.460(7) . ?
N8 C32 1.338(7) . ?
N8 C28 1.367(8) . ?
C8 C9 1.380(8) . ?
N9 C33 1.346(7) . ?
N9 C37 1.355(6) . ?
C9 C10 1.393(9) . ?
N10 C42 1.345(7) . ?
N10 C38 1.360(6) . ?
C10 C11 1.364(10) . ?
N11 C43 1.345(8) . ?
N11 C47 1.351(8) . ?
C11 C12 1.361(9) . ?
N12 C52 1.343(7) . ?
N12 C48 1.359(8) . ?
C13 C14 1.403(8) . ?
C14 C15 1.330(9) . ?
C15 C16 1.394(9) . ?
C16 C17 1.387(8) . ?
C17 C18 1.472(8) . ?
C18 C19 1.402(7) . ?
C19 C20 1.371(9) . ?
C20 C21 1.378(10) . ?
C21 C22 1.375(8) . ?
C23 C24 1.393(8) . ?
C24 C25 1.359(10) . ?
C25 C26 1.389(10) . ?
C26 C27 1.371(8) . ?
C27 C28 1.467(8) . ?
C28 C29 1.398(9) . ?
C29 C30 1.383(12) . ?
C30 C31 1.376(12) . ?
C31 C32 1.393(10) . ?
C33 C34 1.377(8) . ?
C34 C35 1.384(9) . ?
C35 C36 1.368(9) . ?
C36 C37 1.391(8) . ?
C37 C38 1.472(7) . ?
C38 C39 1.389(7) . ?
C39 C40 1.380(8) . ?
C40 C41 1.361(9) . ?
C41 C42 1.379(8) . ?
C43 C44 1.365(10) . ?
C44 C45 1.361(14) . ?
C45 C46 1.347(14) . ?
C46 C47 1.414(10) . ?
C47 C48 1.477(9) . ?
C48 C49 1.386(9) . ?
C49 C50 1.379(12) . ?
C50 C51 1.349(12) . ?
C51 C52 1.381(9) . ?
