#------------------------------------------------------------------------------
#$Date: 2021-04-22 11:06:51 +0300 (Thu, 22 Apr 2021) $
#$Revision: 264396 $
#$URL: file:///home/coder/svn-repositories/cod/cif/1/56/19/1561982.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_1561982
loop_
_publ_author_name
'Xu, Hui'
'Gao, Junkuo'
'Wang, Jiangpeng'
'Qian, Xuefeng'
'Song, Ruijing'
'Cui, Yuanjing'
'Yang, Yu'
'Qian, Guodong'
_publ_section_title
;
 Surfactant-thermal method to synthesize a new Zn(II)-trimesic MOF with
 confined Ru(bpy)32+ complex
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              295
_journal_page_last               298
_journal_paper_doi               10.1016/j.jssc.2015.03.012
_journal_volume                  226
_journal_year                    2015
_chemical_formula_sum            'C58 H42 N8 O14 Ru Zn2'
_chemical_formula_weight         1306.81
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_symmetry_cell_setting           monoclinic
_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                 108.1077(19)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   17.7510(9)
_cell_length_b                   17.5007(11)
_cell_length_c                   18.0280(9)
_cell_measurement_temperature    103(2)
_cell_volume                     5323.1(5)
_computing_cell_refinement       'Siemens SMART & SAINT'
_computing_data_collection       'Siemens SMART'
_computing_data_reduction        'Siemens XPERP'
_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      103(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.933
_diffrn_measurement_device_type  'APEX II CCD 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  0.0772
_diffrn_reflns_av_sigmaI/netI    0.1412
_diffrn_reflns_limit_h_max       17
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -25
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            34076
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         31.76
_diffrn_reflns_theta_min         1.66
_diffrn_standards_decay_%        none
_diffrn_standards_interval_count none
_diffrn_standards_interval_time  none
_diffrn_standards_number         none
_exptl_absorpt_coefficient_mu    1.252
_exptl_absorpt_correction_T_max  0.8850
_exptl_absorpt_correction_T_min  0.8850
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   'SADABS(Sheldrick, 1996)'
_exptl_crystal_colour            Orange
_exptl_crystal_density_diffrn    1.631
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             2648
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.936
_refine_diff_density_min         -1.271
_refine_diff_density_rms         0.219
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.038
_refine_ls_hydrogen_treatment    constra
_refine_ls_matrix_type           full
_refine_ls_number_parameters     748
_refine_ls_number_reflns         16901
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.038
_refine_ls_R_factor_all          0.1239
_refine_ls_R_factor_gt           0.0610
_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)+(0.0703P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1272
_refine_ls_wR_factor_ref         0.1827
_reflns_number_gt                9819
_reflns_number_total             16901
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            JSSC-2015-226-295.cif
_cod_data_source_block           RuBpy
_cod_depositor_comments
;
The following automatic conversions were performed:

data item '_symmetry_cell_setting' value 'Monoclinic' was changed to
'monoclinic' in accordance with the built-in table derived from the
CIF Core dictionary named 'cif_core.dic' version 2.4.5 last updated
on 2014-11-21.

Automatic conversion script
Id: cif_fix_values 8369 2020-08-20 11:38:08Z andrius 
;
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               1561982
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
C1 C 0.7801(3) 0.5782(3) 0.6893(3) 0.0229(12) Uani 1 1 d . . .
H1 H 0.8177 0.5969 0.7355 0.027 Uiso 1 1 calc R . .
C2 C 0.7044(3) 0.5634(3) 0.6899(3) 0.0250(12) Uani 1 1 d . . .
H2 H 0.6903 0.5716 0.7359 0.030 Uiso 1 1 calc R . .
C3 C 0.6493(3) 0.5367(3) 0.6233(3) 0.0263(12) Uani 1 1 d . . .
H3 H 0.5965 0.5268 0.6226 0.032 Uiso 1 1 calc R . .
C4 C 0.6714(3) 0.5245(3) 0.5587(3) 0.0225(11) Uani 1 1 d . . .
H4 H 0.6343 0.5053 0.5124 0.027 Uiso 1 1 calc R . .
C5 C 0.7482(3) 0.5404(3) 0.5612(3) 0.0225(12) Uani 1 1 d . . .
H5 H 0.7631 0.5322 0.5155 0.027 Uiso 1 1 calc R . .
C6 C 0.9790(3) 0.7353(3) 0.7083(3) 0.0139(9) Uani 1 1 d . . .
C7 C 0.9879(3) 0.7918(3) 0.7737(3) 0.0137(9) Uani 1 1 d . . .
C8 C 0.9452(3) 0.7813(3) 0.8261(2) 0.0117(9) Uani 1 1 d . . .
H8 H 0.9107 0.7387 0.8202 0.014 Uiso 1 1 calc R . .
C9 C 0.9529(3) 0.8329(3) 0.8870(3) 0.0124(9) Uani 1 1 d . . .
C10 C 0.9065(3) 0.8219(3) 0.9427(3) 0.0135(9) Uani 1 1 d . . .
C11 C 1.0018(3) 0.8965(3) 0.8928(3) 0.0132(9) Uani 1 1 d . . .
H11 H 1.0074 0.9320 0.9341 0.016 Uiso 1 1 calc R . .
C12 C 1.0425(3) 0.9087(3) 0.8390(3) 0.0123(9) Uani 1 1 d . . .
C13 C 1.0916(3) 0.9787(3) 0.8438(3) 0.0173(10) Uani 1 1 d . . .
C14 C 1.0364(3) 0.8552(3) 0.7809(3) 0.0150(10) Uani 1 1 d . . .
H14 H 1.0659 0.8621 0.7455 0.018 Uiso 1 1 calc R . .
C15 C 0.8744(3) 0.6784(3) 0.4667(3) 0.0153(10) Uani 1 1 d . . .
C16 C 0.8926(3) 0.6671(3) 0.3907(3) 0.0126(9) Uani 1 1 d . . .
C17 C 0.9260(3) 0.5986(3) 0.3769(3) 0.0138(9) Uani 1 1 d . . .
H17 H 0.9337 0.5582 0.4137 0.017 Uiso 1 1 calc R . .
C18 C 0.9481(3) 0.5886(3) 0.3101(3) 0.0130(9) Uani 1 1 d . . .
C19 C 0.9873(3) 0.5155(3) 0.2984(3) 0.0154(10) Uani 1 1 d . . .
C20 C 0.9365(3) 0.6484(3) 0.2564(3) 0.0130(9) Uani 1 1 d . . .
H20 H 0.9512 0.6422 0.2104 0.016 Uiso 1 1 calc R . .
C21 C 0.9034(3) 0.7168(3) 0.2700(3) 0.0135(9) Uani 1 1 d . . .
C22 C 0.8902(3) 0.7825(3) 0.2134(3) 0.0154(10) Uani 1 1 d . . .
C23 C 0.8821(3) 0.7264(3) 0.3371(3) 0.0137(9) Uani 1 1 d . . .
H23 H 0.8602 0.7736 0.3465 0.016 Uiso 1 1 calc R . .
C24 C 0.7239(3) 0.9033(3) 0.1014(3) 0.0192(11) Uani 1 1 d . . .
H24 H 0.7563 0.9283 0.1469 0.023 Uiso 1 1 calc R . .
C25 C 0.6423(3) 0.9008(3) 0.0877(3) 0.0263(12) Uani 1 1 d . . .
H25 H 0.6194 0.9235 0.1236 0.032 Uiso 1 1 calc R . .
C26 C 0.5948(3) 0.8647(4) 0.0211(3) 0.0343(15) Uani 1 1 d . . .
H26 H 0.5392 0.8614 0.0111 0.041 Uiso 1 1 calc R . .
C27 C 0.6298(3) 0.8338(4) -0.0307(3) 0.0360(16) Uani 1 1 d . . .
H27 H 0.5985 0.8102 -0.0776 0.043 Uiso 1 1 calc R . .
C28 C 0.7109(3) 0.8379(3) -0.0130(3) 0.0226(11) Uani 1 1 d . . .
H28 H 0.7348 0.8162 -0.0485 0.027 Uiso 1 1 calc R . .
C29 C 0.7804(3) 1.1604(3) 0.6284(3) 0.0167(10) Uani 1 1 d . . .
H29 H 0.7257 1.1702 0.6033 0.020 Uiso 1 1 calc R . .
C30 C 0.8223(3) 1.2075(3) 0.6883(3) 0.0257(12) Uani 1 1 d . . .
H30 H 0.7964 1.2494 0.7035 0.031 Uiso 1 1 calc R . .
C31 C 0.9009(3) 1.1945(3) 0.7259(3) 0.0284(13) Uani 1 1 d . . .
H31 H 0.9296 1.2258 0.7683 0.034 Uiso 1 1 calc R . .
C32 C 0.9375(3) 1.1341(3) 0.7006(3) 0.0271(13) Uani 1 1 d . . .
H32 H 0.9922 1.1241 0.7255 0.033 Uiso 1 1 calc R . .
C33 C 0.8947(3) 1.0885(3) 0.6394(3) 0.0180(10) Uani 1 1 d . . .
C34 C 0.9278(3) 1.0246(3) 0.6085(3) 0.0175(10) Uani 1 1 d . . .
C35 C 1.0078(3) 1.0066(4) 0.6327(3) 0.0267(13) Uani 1 1 d . . .
H35 H 1.0448 1.0371 0.6706 0.032 Uiso 1 1 calc R . .
C36 C 1.0326(3) 0.9442(4) 0.6010(3) 0.0315(14) Uani 1 1 d . . .
H36 H 1.0874 0.9317 0.6160 0.038 Uiso 1 1 calc R . .
C37 C 0.9790(4) 0.8999(4) 0.5480(4) 0.0329(15) Uani 1 1 d . . .
H37 H 0.9961 0.8557 0.5272 0.039 Uiso 1 1 calc R . .
C38 C 0.9004(3) 0.9192(3) 0.5249(3) 0.0246(12) Uani 1 1 d . . .
H38 H 0.8635 0.8879 0.4879 0.030 Uiso 1 1 calc R . .
C39 C 0.6060(3) 1.1125(3) 0.4617(3) 0.0174(10) Uani 1 1 d . . .
H39 H 0.6273 1.1282 0.4218 0.021 Uiso 1 1 calc R . .
C40 C 0.5360(3) 1.1450(3) 0.4633(3) 0.0189(11) Uani 1 1 d . . .
H40 H 0.5095 1.1816 0.4252 0.023 Uiso 1 1 calc R . .
C41 C 0.5052(3) 1.1230(3) 0.5213(3) 0.0189(10) Uani 1 1 d . . .
H41 H 0.4577 1.1455 0.5249 0.023 Uiso 1 1 calc R . .
C42 C 0.5442(3) 1.0680(3) 0.5744(3) 0.0180(10) Uani 1 1 d . . .
H42 H 0.5231 1.0517 0.6142 0.022 Uiso 1 1 calc R . .
C43 C 0.6142(3) 1.0364(3) 0.5693(3) 0.0123(9) Uani 1 1 d . . .
C44 C 0.6617(3) 0.9796(3) 0.6244(3) 0.0151(9) Uani 1 1 d . . .
C45 C 0.6378(3) 0.9455(3) 0.6825(3) 0.0249(12) Uani 1 1 d . . .
H45 H 0.5867 0.9559 0.6865 0.030 Uiso 1 1 calc R . .
C46 C 0.6879(3) 0.8966(3) 0.7345(3) 0.0287(13) Uani 1 1 d . . .
H46 H 0.6724 0.8740 0.7754 0.034 Uiso 1 1 calc R . .
C47 C 0.7614(4) 0.8808(3) 0.7265(3) 0.0269(13) Uani 1 1 d . . .
H47 H 0.7972 0.8474 0.7621 0.032 Uiso 1 1 calc R . .
C48 C 0.7819(3) 0.9142(3) 0.6663(3) 0.0205(11) Uani 1 1 d . . .
H48 H 0.8321 0.9026 0.6607 0.025 Uiso 1 1 calc R . .
C49 C 0.7932(3) 1.1468(3) 0.4252(3) 0.0235(12) Uani 1 1 d . . .
H49 H 0.8069 1.1765 0.4716 0.028 Uiso 1 1 calc R . .
C50 C 0.7982(3) 1.1796(4) 0.3565(3) 0.0310(14) Uani 1 1 d . . .
H50 H 0.8149 1.2311 0.3562 0.037 Uiso 1 1 calc R . .
C51 C 0.7789(3) 1.1370(4) 0.2889(3) 0.0264(13) Uani 1 1 d . . .
H51 H 0.7829 1.1585 0.2418 0.032 Uiso 1 1 calc R . .
C52 C 0.7541(3) 1.0635(4) 0.2907(3) 0.0273(13) Uani 1 1 d . . .
H52 H 0.7398 1.0336 0.2445 0.033 Uiso 1 1 calc R . .
C53 C 0.7495(3) 1.0324(4) 0.3599(3) 0.0264(13) Uani 1 1 d . . .
C54 C 0.7184(3) 0.9550(4) 0.3682(3) 0.0253(12) Uani 1 1 d . . .
C55 C 0.6965(4) 0.9026(4) 0.3078(4) 0.0375(16) Uani 1 1 d . . .
H55 H 0.7007 0.9149 0.2579 0.045 Uiso 1 1 calc R . .
C56 C 0.6678(4) 0.8303(4) 0.3216(4) 0.0404(17) Uani 1 1 d . . .
H56 H 0.6515 0.7942 0.2804 0.048 Uiso 1 1 calc R . .
C57 C 0.6635(4) 0.8123(4) 0.3940(4) 0.0340(15) Uani 1 1 d . . .
H57 H 0.6439 0.7642 0.4041 0.041 Uiso 1 1 calc R . .
C58 C 0.6887(3) 0.8671(3) 0.4520(3) 0.0248(12) Uani 1 1 d . . .
H58 H 0.6879 0.8543 0.5030 0.030 Uiso 1 1 calc R . .
N1 N 0.8152(2) 1.1006(2) 0.6042(2) 0.0135(8) Uani 1 1 d . . .
N2 N 0.8737(2) 0.9819(2) 0.5533(2) 0.0160(8) Uani 1 1 d . . .
N3 N 0.6461(2) 1.0597(2) 0.5134(2) 0.0134(8) Uani 1 1 d . . .
N4 N 0.7336(2) 0.9624(2) 0.6152(2) 0.0140(8) Uani 1 1 d . . .
N5 N 0.7692(2) 1.0740(2) 0.4275(2) 0.0150(8) Uani 1 1 d . . .
N6 N 0.7140(3) 0.9367(3) 0.4407(2) 0.0208(9) Uani 1 1 d . . .
N7 N 0.7583(2) 0.8716(2) 0.0527(2) 0.0140(8) Uani 1 1 d . . .
N8 N 0.8031(3) 0.5671(2) 0.6257(2) 0.0167(9) Uani 1 1 d . . .
O1 O 0.8626(2) 0.8431(2) 0.2283(2) 0.0220(8) Uani 1 1 d . . .
O2 O 0.9102(2) 0.7719(2) 0.15134(18) 0.0164(7) Uani 1 1 d . . .
O3 O 0.8432(2) 0.7385(2) 0.4775(2) 0.0297(10) Uani 1 1 d . . .
O4 O 0.8933(2) 0.6215(2) 0.51275(19) 0.0185(8) Uani 1 1 d . . .
O5 O 1.0084(2) 0.4720(2) 0.3586(2) 0.0210(8) Uani 1 1 d . . .
O6 O 0.9976(2) 0.5011(2) 0.2349(2) 0.0271(9) Uani 1 1 d . . .
O7 O 1.0703(2) 1.03540(19) 0.87738(19) 0.0162(7) Uani 1 1 d . . .
O8 O 1.1468(3) 0.9775(2) 0.8154(3) 0.0347(11) Uani 1 1 d . . .
O9 O 1.0265(2) 0.7344(2) 0.67106(19) 0.0197(8) Uani 1 1 d . . .
O10 O 0.9190(2) 0.68939(19) 0.69625(19) 0.0161(7) Uani 1 1 d . . .
O11 O 0.9324(2) 0.85719(19) 1.00735(19) 0.0171(7) Uani 1 1 d . . .
O12 O 0.8463(2) 0.7818(2) 0.9219(2) 0.0229(8) Uani 1 1 d . . .
O13 O 0.7736(3) 0.7514(3) 0.5924(2) 0.0361(11) Uani 1 1 d . . .
O14 O 0.6111(3) 0.7412(3) 0.5757(3) 0.0611(15) Uani 1 1 d D . .
H1O H 0.6411 0.7273 0.5441 0.092 Uiso 1 1 d RD . .
H2O H 0.5774 0.7011 0.5783 0.092 Uiso 1 1 d RD . .
Ru1 Ru 0.75791(2) 1.01899(2) 0.52450(2) 0.01188(9) Uani 1 1 d . . .
Zn1 Zn 0.87946(3) 0.86551(3) 0.08801(3) 0.01089(12) Uani 1 1 d . . .
Zn2 Zn 0.91235(3) 0.60696(3) 0.62361(3) 0.01305(13) Uani 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'
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'
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
N8 C1 C2 122.5(5) . .
N8 C1 H1 118.8 . .
C2 C1 H1 118.8 . .
C1 C2 C3 119.4(5) . .
C1 C2 H2 120.3 . .
C3 C2 H2 120.3 . .
C4 C3 C2 119.1(5) . .
C4 C3 H3 120.4 . .
C2 C3 H3 120.4 . .
C3 C4 C5 119.2(5) . .
C3 C4 H4 120.4 . .
C5 C4 H4 120.4 . .
N8 C5 C4 122.7(5) . .
N8 C5 H5 118.7 . .
C4 C5 H5 118.7 . .
O9 C6 O10 124.5(4) . .
O9 C6 C7 120.8(4) . .
O10 C6 C7 114.7(4) . .
C14 C7 C8 119.7(4) . .
C14 C7 C6 120.6(4) . .
C8 C7 C6 119.7(4) . .
C7 C8 C9 120.4(4) . .
C7 C8 H8 119.8 . .
C9 C8 H8 119.8 . .
C8 C9 C11 118.9(4) . .
C8 C9 C10 120.4(4) . .
C11 C9 C10 120.7(4) . .
O12 C10 O11 125.9(4) . .
O12 C10 C9 118.3(4) . .
O11 C10 C9 115.8(4) . .
C12 C11 C9 120.9(4) . .
C12 C11 H11 119.5 . .
C9 C11 H11 119.5 . .
C14 C12 C11 119.2(4) . .
C14 C12 C13 120.4(4) . .
C11 C12 C13 120.4(4) . .
O8 C13 O7 126.6(5) . .
O8 C13 C12 119.1(4) . .
O7 C13 C12 114.3(4) . .
C12 C14 C7 120.8(4) . .
C12 C14 H14 119.6 . .
C7 C14 H14 119.6 . .
O3 C15 O4 127.3(4) . .
O3 C15 C16 119.1(4) . .
O4 C15 C16 113.6(4) . .
C23 C16 C17 119.4(4) . .
C23 C16 C15 120.7(4) . .
C17 C16 C15 119.7(4) . .
C18 C17 C16 120.9(4) . .
C18 C17 H17 119.5 . .
C16 C17 H17 119.5 . .
C17 C18 C20 119.1(4) . .
C17 C18 C19 119.8(4) . .
C20 C18 C19 121.1(4) . .
O6 C19 O5 124.9(5) . .
O6 C19 C18 120.7(4) . .
O5 C19 C18 114.5(4) . .
C21 C20 C18 120.2(4) . .
C21 C20 H20 119.9 . .
C18 C20 H20 119.9 . .
C23 C21 C20 120.2(4) . .
C23 C21 C22 118.2(4) . .
C20 C21 C22 121.6(4) . .
O1 C22 O2 123.3(4) . .
O1 C22 C21 119.8(4) . .
O2 C22 C21 116.9(4) . .
C21 C23 C16 120.2(4) . .
C21 C23 H23 119.9 . .
C16 C23 H23 119.9 . .
N7 C24 C25 122.3(5) . .
N7 C24 H24 118.9 . .
C25 C24 H24 118.9 . .
C26 C25 C24 119.0(5) . .
C26 C25 H25 120.5 . .
C24 C25 H25 120.5 . .
C27 C26 C25 119.0(5) . .
C27 C26 H26 120.5 . .
C25 C26 H26 120.5 . .
C28 C27 C26 118.7(5) . .
C28 C27 H27 120.7 . .
C26 C27 H27 120.7 . .
N7 C28 C27 123.1(5) . .
N7 C28 H28 118.4 . .
C27 C28 H28 118.4 . .
N1 C29 C30 121.7(5) . .
N1 C29 H29 119.2 . .
C30 C29 H29 119.2 . .
C31 C30 C29 120.5(5) . .
C31 C30 H30 119.7 . .
C29 C30 H30 119.7 . .
C30 C31 C32 118.3(5) . .
C30 C31 H31 120.9 . .
C32 C31 H31 120.9 . .
C33 C32 C31 120.2(5) . .
C33 C32 H32 119.9 . .
C31 C32 H32 119.9 . .
N1 C33 C32 120.7(5) . .
N1 C33 C34 114.9(4) . .
C32 C33 C34 124.3(5) . .
N2 C34 C35 121.5(5) . .
N2 C34 C33 115.1(4) . .
C35 C34 C33 123.4(5) . .
C36 C35 C34 118.8(6) . .
C36 C35 H35 120.6 . .
C34 C35 H35 120.6 . .
C37 C36 C35 120.2(5) . .
C37 C36 H36 119.9 . .
C35 C36 H36 119.9 . .
C36 C37 C38 119.8(6) . .
C36 C37 H37 120.1 . .
C38 C37 H37 120.1 . .
N2 C38 C37 121.9(6) . .
N2 C38 H38 119.1 . .
C37 C38 H38 119.1 . .
N3 C39 C40 123.7(5) . .
N3 C39 H39 118.1 . .
C40 C39 H39 118.1 . .
C39 C40 C41 118.4(5) . .
C39 C40 H40 120.8 . .
C41 C40 H40 120.8 . .
C40 C41 C42 119.2(5) . .
C40 C41 H41 120.4 . .
C42 C41 H41 120.4 . .
C41 C42 C43 119.9(5) . .
C41 C42 H42 120.1 . .
C43 C42 H42 120.1 . .
N3 C43 C42 121.0(4) . .
N3 C43 C44 114.8(4) . .
C42 C43 C44 124.2(4) . .
N4 C44 C45 120.9(4) . .
N4 C44 C43 115.3(4) . .
C45 C44 C43 123.8(5) . .
C46 C45 C44 120.0(5) . .
C46 C45 H45 120.0 . .
C44 C45 H45 120.0 . .
C45 C46 C47 119.0(5) . .
C45 C46 H46 120.5 . .
C47 C46 H46 120.5 . .
C48 C47 C46 119.0(5) . .
C48 C47 H47 120.5 . .
C46 C47 H47 120.5 . .
N4 C48 C47 122.7(5) . .
N4 C48 H48 118.7 . .
C47 C48 H48 118.7 . .
N5 C49 C50 121.6(5) . .
N5 C49 H49 119.2 . .
C50 C49 H49 119.2 . .
C51 C50 C49 119.8(6) . .
C51 C50 H50 120.1 . .
C49 C50 H50 120.1 . .
C52 C51 C50 118.8(5) . .
C52 C51 H51 120.6 . .
C50 C51 H51 120.6 . .
C51 C52 C53 120.1(5) . .
C51 C52 H52 119.9 . .
C53 C52 H52 119.9 . .
N5 C53 C52 121.5(6) . .
N5 C53 C54 113.3(5) . .
C52 C53 C54 125.1(5) . .
N6 C54 C55 120.6(6) . .
N6 C54 C53 116.3(5) . .
C55 C54 C53 123.1(5) . .
C54 C55 C56 118.9(6) . .
C54 C55 H55 120.6 . .
C56 C55 H55 120.6 . .
C57 C56 C55 120.3(6) . .
C57 C56 H56 119.9 . .
C55 C56 H56 119.9 . .
C56 C57 C58 117.4(6) . .
C56 C57 H57 121.3 . .
C58 C57 H57 121.3 . .
N6 C58 C57 124.0(5) . .
N6 C58 H58 118.0 . .
C57 C58 H58 118.0 . .
C29 N1 C33 118.5(4) . .
C29 N1 Ru1 125.8(3) . .
C33 N1 Ru1 115.5(3) . .
C38 N2 C34 117.8(4) . .
C38 N2 Ru1 126.7(4) . .
C34 N2 Ru1 115.4(3) . .
C39 N3 C43 117.7(4) . .
C39 N3 Ru1 126.2(3) . .
C43 N3 Ru1 115.7(3) . .
C48 N4 C44 118.3(4) . .
C48 N4 Ru1 126.8(3) . .
C44 N4 Ru1 114.9(3) . .
C49 N5 C53 118.2(5) . .
C49 N5 Ru1 125.6(3) . .
C53 N5 Ru1 116.2(4) . .
C58 N6 C54 118.8(5) . .
C58 N6 Ru1 126.5(4) . .
C54 N6 Ru1 114.5(4) . .
C24 N7 C28 117.9(5) . .
C24 N7 Zn1 117.9(3) . .
C28 N7 Zn1 123.8(3) . .
C1 N8 C5 117.2(5) . .
C1 N8 Zn2 120.0(3) . .
C5 N8 Zn2 122.1(3) . .
C22 O2 Zn1 106.4(3) . .
C15 O4 Zn2 134.5(3) . .
C19 O5 Zn2 125.0(3) . 3_766
C13 O7 Zn1 131.6(3) . 3_776
C6 O10 Zn2 116.9(3) . .
C10 O11 Zn1 126.4(3) . 1_556
H1O O14 H2O 109.4 . .
N1 Ru1 N6 172.48(16) . .
N1 Ru1 N3 94.58(16) . .
N6 Ru1 N3 92.14(16) . .
N1 Ru1 N5 96.40(16) . .
N6 Ru1 N5 79.54(17) . .
N3 Ru1 N5 95.81(15) . .
N1 Ru1 N2 78.75(16) . .
N6 Ru1 N2 94.87(17) . .
N3 Ru1 N2 171.34(15) . .
N5 Ru1 N2 90.45(15) . .
N1 Ru1 N4 87.66(15) . .
N6 Ru1 N4 96.93(17) . .
N3 Ru1 N4 79.12(16) . .
N5 Ru1 N4 173.77(16) . .
N2 Ru1 N4 94.98(16) . .
O7 Zn1 O11 91.50(13) 3_776 1_554
O7 Zn1 O2 122.21(14) 3_776 .
O11 Zn1 O2 104.84(14) 1_554 .
O7 Zn1 N7 112.52(15) 3_776 .
O11 Zn1 N7 118.10(15) 1_554 .
O2 Zn1 N7 107.34(15) . .
O5 Zn2 O10 122.43(15) 3_766 .
O5 Zn2 O4 98.63(14) 3_766 .
O10 Zn2 O4 123.82(14) . .
O5 Zn2 N8 113.26(16) 3_766 .
O10 Zn2 N8 95.76(14) . .
O4 Zn2 N8 101.46(16) . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N8 1.346(6) .
C1 C2 1.371(7) .
C1 H1 0.9500 .
C2 C3 1.373(8) .
C2 H2 0.9500 .
C3 C4 1.356(7) .
C3 H3 0.9500 .
C4 C5 1.380(7) .
C4 H4 0.9500 .
C5 N8 1.347(6) .
C5 H5 0.9500 .
C6 O9 1.230(5) .
C6 O10 1.298(6) .
C6 C7 1.509(6) .
C7 C14 1.385(6) .
C7 C8 1.395(6) .
C8 C9 1.395(6) .
C8 H8 0.9500 .
C9 C11 1.395(6) .
C9 C10 1.498(6) .
C10 O12 1.235(6) .
C10 O11 1.272(5) .
C11 C12 1.395(6) .
C11 H11 0.9500 .
C12 C14 1.384(6) .
C12 C13 1.490(7) .
C13 O8 1.239(6) .
C13 O7 1.280(6) .
C14 H14 0.9500 .
C15 O3 1.232(6) .
C15 O4 1.273(6) .
C15 C16 1.516(6) .
C16 C23 1.389(6) .
C16 C17 1.393(6) .
C17 C18 1.389(6) .
C17 H17 0.9500 .
C18 C20 1.396(6) .
C18 C19 1.502(7) .
C19 O6 1.240(5) .
C19 O5 1.282(6) .
C20 C21 1.389(7) .
C20 H20 0.9500 .
C21 C23 1.385(6) .
C21 C22 1.506(6) .
C22 O1 1.233(6) .
C22 O2 1.288(5) .
C23 H23 0.9500 .
C24 N7 1.336(6) .
C24 C25 1.393(7) .
C24 H24 0.9500 .
C25 C26 1.387(8) .
C25 H25 0.9500 .
C26 C27 1.382(8) .
C26 H26 0.9500 .
C27 C28 1.376(7) .
C27 H27 0.9500 .
C28 N7 1.355(6) .
C28 H28 0.9500 .
C29 N1 1.355(6) .
C29 C30 1.378(7) .
C29 H29 0.9500 .
C30 C31 1.368(8) .
C30 H30 0.9500 .
C31 C32 1.390(8) .
C31 H31 0.9500 .
C32 C33 1.382(7) .
C32 H32 0.9500 .
C33 N1 1.372(6) .
C33 C34 1.452(7) .
C34 N2 1.370(7) .
C34 C35 1.387(7) .
C35 C36 1.367(8) .
C35 H35 0.9500 .
C36 C37 1.362(9) .
C36 H36 0.9500 .
C37 C38 1.368(8) .
C37 H37 0.9500 .
C38 N2 1.356(6) .
C38 H38 0.9500 .
C39 N3 1.349(6) .
C39 C40 1.374(7) .
C39 H39 0.9500 .
C40 C41 1.378(7) .
C40 H40 0.9500 .
C41 C42 1.382(7) .
C41 H41 0.9500 .
C42 C43 1.389(7) .
C42 H42 0.9500 .
C43 N3 1.363(6) .
C43 C44 1.471(6) .
C44 N4 1.371(6) .
C44 C45 1.382(7) .
C45 C46 1.373(8) .
C45 H45 0.9500 .
C46 C47 1.384(8) .
C46 H46 0.9500 .
C47 C48 1.377(7) .
C47 H47 0.9500 .
C48 N4 1.343(6) .
C48 H48 0.9500 .
C49 N5 1.348(7) .
C49 C50 1.393(7) .
C49 H49 0.9500 .
C50 C51 1.378(8) .
C50 H50 0.9500 .
C51 C52 1.363(9) .
C51 H51 0.9500 .
C52 C53 1.387(7) .
C52 H52 0.9500 .
C53 N5 1.368(7) .
C53 C54 1.487(9) .
C54 N6 1.371(6) .
C54 C55 1.385(8) .
C55 C56 1.413(10) .
C55 H55 0.9500 .
C56 C57 1.368(9) .
C56 H56 0.9500 .
C57 C58 1.386(8) .
C57 H57 0.9500 .
C58 N6 1.336(7) .
C58 H58 0.9500 .
N1 Ru1 2.057(4) .
N2 Ru1 2.062(4) .
N3 Ru1 2.059(4) .
N4 Ru1 2.068(4) .
N5 Ru1 2.060(4) .
N6 Ru1 2.058(4) .
N7 Zn1 2.047(4) .
N8 Zn2 2.072(4) .
O2 Zn1 1.975(3) .
O4 Zn2 1.937(3) .
O5 Zn2 1.926(4) 3_766
O7 Zn1 1.961(3) 3_776
O10 Zn2 1.927(3) .
O11 Zn1 1.967(3) 1_556
O14 H1O 0.9255 .
O14 H2O 0.9336 .
Zn1 O7 1.961(3) 3_776
Zn1 O11 1.967(3) 1_554
Zn2 O5 1.926(4) 3_766
