#------------------------------------------------------------------------------
#$Date: 2016-03-25 14:30:52 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179899 $
#$URL: svn://www.crystallography.net/cod/cif/7/01/95/7019576.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_7019576
loop_
_publ_author_name
'Saha, Debasish'
'Das, Shyamal'
'Mardanya, Sourav'
'Baitalik, Sujoy'
_publ_section_title
;
 Structural characterization and spectroelectrochemical, anion sensing and
 solvent dependence photophysical studies of a bimetallic Ru(ii) complex
 derived from 1,3-di(1H-imidazo[4,5-f][1,10]phenanthroline-2-yl)benzene.
;
_journal_issue                   29
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              8886
_journal_page_last               8898
_journal_paper_doi               10.1039/c2dt30633f
_journal_volume                  41
_journal_year                    2012
_chemical_formula_sum            'C72 H50 Cl4 N16 O15 Ru2'
_chemical_formula_weight         1723.22
_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                 103.672(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   26.1991(18)
_cell_length_b                   12.9957(9)
_cell_length_c                   25.5151(16)
_cell_measurement_reflns_used    8291
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      20.36
_cell_measurement_theta_min      2.48
_cell_volume                     8441.1(10)
_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, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.989
_diffrn_measured_fraction_theta_max 0.989
_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  0.0695
_diffrn_reflns_av_sigmaI/netI    0.0840
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            47357
_diffrn_reflns_theta_full        21.00
_diffrn_reflns_theta_max         21.00
_diffrn_reflns_theta_min         0.80
_exptl_absorpt_coefficient_mu    0.552
_exptl_absorpt_correction_T_max  0.9139
_exptl_absorpt_correction_T_min  0.8721
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS (Sheldrick, 1997)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.356
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       dimond
_exptl_crystal_F_000             3480
_exptl_crystal_size_max          0.38
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.28
_platon_squeeze_details
;
;
_refine_diff_density_max         0.631
_refine_diff_density_min         -0.938
_refine_diff_density_rms         0.099
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.806
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     972
_refine_ls_number_reflns         8959
_refine_ls_number_restraints     2
_refine_ls_restrained_S_all      0.807
_refine_ls_R_factor_all          0.1214
_refine_ls_R_factor_gt           0.0726
_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)+(0.2000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2026
_refine_ls_wR_factor_ref         0.2367
_reflns_number_gt                5092
_reflns_number_total             8959
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c2dt30633f.txt
_cod_data_source_block           1
_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_values 1891 2012-01-12 08:04:46Z andrius 
;
_cod_original_sg_symbol_H-M      'P2(1)/c '
_cod_database_code               7019576
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
Ru2 Ru 0.62347(3) 0.16218(6) 0.90796(3) 0.0547(3) Uani 1 1 d .
Ru1 Ru 1.25089(3) 0.29610(7) 0.83465(3) 0.0693(4) Uani 1 1 d .
Cl2 Cl 0.31934(17) 0.9171(4) 0.76700(18) 0.1065(11) Uani 1 1 d .
Cl1 Cl 0.5503(2) 0.7723(4) 0.8639(2) 0.1299(14) Uani 1 1 d .
Cl3 Cl 0.8224(2) 0.3379(4) 0.0661(2) 0.1299(14) Uani 1 1 d .
N10 N 0.8720(3) 0.0439(7) 0.9352(3) 0.066(2) Uani 1 1 d .
N11 N 0.6657(3) 0.0350(6) 0.9419(3) 0.052(2) Uani 1 1 d .
N9 N 0.8445(4) -0.1000(6) 0.9647(3) 0.061(2) Uani 1 1 d .
H9 H 0.8438 -0.1617 0.9767 0.074 Uiso 1 1 calc R
N7 N 1.1116(3) -0.0579(6) 0.9232(3) 0.063(2) Uani 1 1 d .
H7 H 1.1251 -0.1176 0.9321 0.076 Uiso 1 1 calc R
N12 N 0.6986(3) 0.2043(6) 0.9067(3) 0.054(2) Uani 1 1 d .
Cl5 Cl 0.4891(4) 0.5412(7) 0.9752(5) 0.270(4) Uani 1 1 d .
N15 N 0.6152(3) 0.1165(6) 0.8289(3) 0.056(2) Uani 1 1 d .
N16 N 0.5870(3) 0.2884(6) 0.8663(3) 0.052(2) Uani 1 1 d .
C1 C 1.2661(5) 0.3860(9) 0.9473(6) 0.092(4) Uani 1 1 d .
H1 H 1.2297 0.3828 0.9409 0.110 Uiso 1 1 calc R
N3 N 1.3262(4) 0.2803(7) 0.8291(4) 0.078(3) Uani 1 1 d .
N8 N 1.0536(3) 0.0719(7) 0.9071(3) 0.068(2) Uani 1 1 d .
N13 N 0.6237(4) 0.2144(6) 0.9842(3) 0.067(2) Uani 1 1 d .
N5 N 1.2459(4) 0.1529(6) 0.8681(3) 0.055(2) Uani 1 1 d .
C70 C 0.7358(4) 0.1314(8) 0.9228(3) 0.051(2) Uani 1 1 d .
N4 N 1.2883(4) 0.3538(6) 0.9086(4) 0.076(3) Uani 1 1 d .
N6 N 1.1767(4) 0.3025(8) 0.8479(3) 0.074(2) Uani 1 1 d .
C44 C 1.1880(4) 0.0356(8) 0.8975(4) 0.051(2) Uani 1 1 d .
N14 N 0.5513(3) 0.1144(6) 0.9175(4) 0.063(2) Uani 1 1 d .
C31 C 0.5148(5) 0.0628(8) 0.8786(5) 0.079(3) Uani 1 1 d .
H31 H 0.5238 0.0454 0.8465 0.095 Uiso 1 1 calc R
C66 C 0.7879(4) 0.1442(7) 0.9216(4) 0.052(3) Uani 1 1 d .
C9 C 1.3950(8) 0.2348(13) 0.7872(8) 0.127(6) Uani 1 1 d .
H9A H 1.4044 0.2061 0.7575 0.152 Uiso 1 1 calc R
C72 C 0.9731(4) -0.0490(9) 0.9384(4) 0.071(3) Uani 1 1 d .
H72 H 0.9652 0.0168 0.9245 0.086 Uiso 1 1 calc R
C58 C 0.9358(4) -0.1043(10) 0.9560(4) 0.064(3) Uani 1 1 d .
C52 C 1.1986(4) 0.1324(7) 0.8780(3) 0.049(2) Uani 1 1 d .
N2 N 1.2459(4) 0.4332(8) 0.7948(4) 0.083(3) Uani 1 1 d .
C63 C 0.7515(4) -0.0446(8) 0.9588(3) 0.052(2) Uani 1 1 d .
C26 C 0.5760(4) 0.2806(8) 0.8114(5) 0.061(3) Uani 1 1 d .
C59 C 0.8853(4) -0.0545(10) 0.9529(4) 0.065(3) Uani 1 1 d .
C45 C 1.1366(4) 0.0285(8) 0.9049(3) 0.059(3) Uani 1 1 d .
C53 C 1.0619(4) -0.0261(10) 0.9237(4) 0.063(3) Uani 1 1 d .
C35 C 0.5378(5) 0.1440(8) 0.9633(5) 0.069(3) Uani 1 1 d .
C65 C 0.8206(4) 0.0582(8) 0.9375(4) 0.055(3) Uani 1 1 d .
C42 C 1.2746(5) -0.0166(9) 0.8982(4) 0.078(3) Uani 1 1 d .
H42 H 1.3012 -0.0656 0.9048 0.093 Uiso 1 1 calc R
C25 C 0.5917(4) 0.1842(7) 0.7914(4) 0.056(3) Uani 1 1 d .
C47 C 1.1119(5) 0.2002(9) 0.8771(4) 0.064(3) Uani 1 1 d .
C46 C 1.0986(4) 0.1033(9) 0.8946(4) 0.061(3) Uani 1 1 d .
C43 C 1.2279(4) -0.0380(8) 0.9073(4) 0.060(3) Uani 1 1 d .
H43 H 1.2217 -0.1026 0.9202 0.072 Uiso 1 1 calc R
C67 C 0.8032(5) 0.2363(10) 0.9034(4) 0.070(3) Uani 1 1 d .
H67 H 0.8381 0.2466 0.9026 0.084 Uiso 1 1 calc R
C54 C 1.0222(5) -0.0898(9) 0.9411(4) 0.069(3) Uani 1 1 d .
N1 N 1.2185(4) 0.2520(9) 0.7568(4) 0.097(3) Uani 1 1 d .
C61 C 0.6784(4) -0.1356(8) 0.9782(4) 0.066(3) Uani 1 1 d .
H61 H 0.6643 -0.1933 0.9911 0.079 Uiso 1 1 calc R
C64 C 0.8042(4) -0.0339(8) 0.9547(4) 0.054(3) Uani 1 1 d .
C71 C 0.7170(4) 0.0388(7) 0.9419(3) 0.048(2) Uani 1 1 d .
C51 C 1.1607(4) 0.2130(8) 0.8677(4) 0.054(3) Uani 1 1 d .
C41 C 1.2833(4) 0.0831(9) 0.8783(4) 0.071(3) Uani 1 1 d .
H41 H 1.3161 0.0989 0.8724 0.085 Uiso 1 1 calc R
C14 C 1.2226(6) 0.5155(16) 0.7099(8) 0.149(6) Uiso 1 1 d .
H14 H 1.2081 0.5114 0.6730 0.179 Uiso 1 1 calc R
C60 C 0.6467(4) -0.0509(8) 0.9593(4) 0.065(3) Uani 1 1 d .
H60 H 0.6111 -0.0541 0.9588 0.078 Uiso 1 1 calc R
C68 C 0.7681(5) 0.3106(10) 0.8869(5) 0.088(4) Uani 1 1 d .
H68 H 0.7780 0.3723 0.8737 0.105 Uiso 1 1 calc R
C69 C 0.7151(5) 0.2939(8) 0.8898(4) 0.071(3) Uani 1 1 d .
H69 H 0.6910 0.3469 0.8797 0.086 Uiso 1 1 calc R
C33 C 0.4547(5) 0.0710(11) 0.9315(8) 0.103(5) Uani 1 1 d .
H33 H 0.4214 0.0569 0.9364 0.123 Uiso 1 1 calc R
C36 C 0.5791(5) 0.1942(8) 1.0014(5) 0.074(3) Uani 1 1 d .
C62 C 0.7294(4) -0.1327(7) 0.9776(4) 0.061(3) Uani 1 1 d .
H62 H 0.7506 -0.1893 0.9898 0.073 Uiso 1 1 calc R
C6 C 1.3620(6) 0.3162(9) 0.8711(7) 0.086(4) Uani 1 1 d .
C27 C 0.5524(5) 0.3581(10) 0.7793(5) 0.086(4) Uani 1 1 d .
H27 H 0.5450 0.3503 0.7421 0.103 Uiso 1 1 calc R
C11 C 1.2624(5) 0.5265(11) 0.8172(5) 0.092(4) Uani 1 1 d .
H11 H 1.2765 0.5304 0.8542 0.110 Uiso 1 1 calc R
C24 C 0.5841(5) 0.1591(10) 0.7369(5) 0.087(4) Uani 1 1 d .
H24 H 0.5683 0.2067 0.7109 0.104 Uiso 1 1 calc R
C34 C 0.4881(5) 0.1247(10) 0.9715(6) 0.083(4) Uani 1 1 d .
H34 H 0.4781 0.1469 1.0022 0.099 Uiso 1 1 calc R
C57 C 0.9459(5) -0.2037(11) 0.9728(5) 0.095(4) Uani 1 1 d .
H57 H 0.9198 -0.2428 0.9825 0.114 Uiso 1 1 calc R
C48 C 1.0774(4) 0.2839(10) 0.8681(5) 0.081(3) Uani 1 1 d .
H48 H 1.0437 0.2789 0.8738 0.097 Uiso 1 1 calc R
C28 C 0.5395(5) 0.4442(10) 0.7998(6) 0.096(4) Uani 1 1 d .
H28 H 0.5241 0.4975 0.7772 0.115 Uiso 1 1 calc R
O6 O 0.8315(5) 0.2444(9) 0.0451(5) 0.168(5) Uani 1 1 d .
C50 C 1.1437(5) 0.3816(9) 0.8417(5) 0.081(3) Uani 1 1 d .
H50 H 1.1550 0.4443 0.8309 0.097 Uiso 1 1 calc R
C10 C 1.3438(7) 0.2390(10) 0.7883(6) 0.102(4) Uani 1 1 d .
H10 H 1.3192 0.2118 0.7592 0.122 Uiso 1 1 calc R
C40 C 0.6643(5) 0.2594(9) 1.0183(6) 0.091(4) Uani 1 1 d .
H40 H 0.6943 0.2737 1.0062 0.110 Uiso 1 1 calc R
C32 C 0.4660(5) 0.0358(10) 0.8846(6) 0.096(4) Uani 1 1 d .
H32 H 0.4425 -0.0029 0.8591 0.115 Uiso 1 1 calc R
C22 C 0.6248(5) -0.0009(10) 0.7599(6) 0.101(4) Uani 1 1 d .
H22 H 0.6378 -0.0631 0.7505 0.122 Uiso 1 1 calc R
C49 C 1.0958(6) 0.3766(10) 0.8498(5) 0.100(4) Uani 1 1 d .
H49 H 1.0741 0.4342 0.8435 0.120 Uiso 1 1 calc R
C21 C 0.6304(4) 0.0272(9) 0.8134(4) 0.074(3) Uani 1 1 d .
H21 H 0.6458 -0.0198 0.8399 0.089 Uiso 1 1 calc R
O13 O 0.3217(6) 0.8389(14) 0.7394(7) 0.242(8) Uani 1 1 d .
C8 C 1.4317(7) 0.2706(12) 0.8272(10) 0.117(6) Uani 1 1 d .
H8 H 1.4669 0.2677 0.8261 0.140 Uiso 1 1 calc R
C5 C 1.3426(6) 0.3535(9) 0.9178(6) 0.095(4) Uani 1 1 d .
C29 C 0.5491(5) 0.4558(10) 0.8561(7) 0.103(4) Uani 1 1 d .
H29 H 0.5397 0.5159 0.8711 0.123 Uiso 1 1 calc R
C7 C 1.4169(6) 0.3121(10) 0.8704(8) 0.106(5) Uani 1 1 d .
H7A H 1.4421 0.3377 0.8994 0.127 Uiso 1 1 calc R
C30 C 0.5729(5) 0.3757(9) 0.8885(5) 0.083(3) Uani 1 1 d .
H30 H 0.5792 0.3817 0.9258 0.099 Uiso 1 1 calc R
C12 C 1.2588(5) 0.6178(10) 0.7857(7) 0.108(4) Uani 1 1 d .
H12 H 1.2693 0.6811 0.8016 0.129 Uiso 1 1 calc R
C16 C 1.2106(6) 0.3265(12) 0.7210(5) 0.120(6) Uani 1 1 d .
C20 C 1.2051(6) 0.1560(12) 0.7409(6) 0.113(5) Uani 1 1 d .
H20 H 1.2107 0.1023 0.7657 0.135 Uiso 1 1 calc R
C2 C 1.2933(9) 0.4235(11) 0.9961(6) 0.123(5) Uani 1 1 d .
H2 H 1.2766 0.4505 1.0214 0.148 Uiso 1 1 calc R
O9 O 0.2730(7) 0.9401(19) 0.7680(7) 0.313(13) Uani 1 1 d .
C23 C 0.5992(5) 0.0671(11) 0.7214(5) 0.095(4) Uani 1 1 d .
H23 H 0.5924 0.0500 0.6850 0.114 Uiso 1 1 calc R
O1 O 0.5930(9) 0.730(2) 0.8713(17) 0.43(2) Uani 1 1 d .
C39 C 0.6638(7) 0.2852(10) 1.0698(5) 0.110(5) Uani 1 1 d .
H39 H 0.6928 0.3145 1.0933 0.132 Uiso 1 1 calc R
C13 C 1.2398(7) 0.6091(12) 0.7326(6) 0.135(6) Uani 1 1 d .
H13 H 1.2381 0.6668 0.7108 0.162 Uiso 1 1 calc R
C18 C 1.1719(11) 0.2115(17) 0.6476(7) 0.247(13) Uani 1 1 d D
H18 H 1.1564 0.1982 0.6115 0.297 Uiso 1 1 calc R
C3 C 1.3471(9) 0.4186(13) 1.0053(7) 0.137(7) Uani 1 1 d .
H3 H 1.3671 0.4360 1.0393 0.164 Uiso 1 1 calc R
O2 O 0.5618(9) 0.8534(12) 0.8389(8) 0.263(10) Uani 1 1 d .
C19 C 1.1829(8) 0.1376(15) 0.6872(7) 0.196(9) Uani 1 1 d D
H19 H 1.1747 0.0698 0.6769 0.236 Uiso 1 1 calc R
C38 C 0.6168(8) 0.2650(13) 1.0855(7) 0.137(6) Uani 1 1 d .
H38 H 0.6142 0.2861 1.1196 0.165 Uiso 1 1 calc R
C55 C 1.0326(5) -0.1882(10) 0.9584(5) 0.094(4) Uani 1 1 d .
H55 H 1.0650 -0.2179 0.9591 0.113 Uiso 1 1 calc R
C15 C 1.2267(6) 0.4287(11) 0.7406(5) 0.106(4) Uani 1 1 d .
O3 O 0.5371(9) 0.6973(12) 0.8208(8) 0.247(8) Uani 1 1 d .
C37 C 0.5774(7) 0.2186(12) 1.0551(6) 0.117(5) Uani 1 1 d .
H37 H 0.5483 0.2013 1.0681 0.140 Uiso 1 1 calc R
C4 C 1.3719(7) 0.3901(14) 0.9678(8) 0.138(6) Uani 1 1 d .
H4 H 1.4083 0.3945 0.9745 0.166 Uiso 1 1 calc R
O10 O 0.3536(6) 0.945(2) 0.8101(7) 0.314(13) Uani 1 1 d .
C56 C 0.9933(6) -0.2447(11) 0.9754(6) 0.115(5) Uani 1 1 d .
H56 H 1.0005 -0.3111 0.9886 0.138 Uiso 1 1 calc R
O5 O 0.8662(9) 0.3935(19) 0.0797(11) 0.344(13) Uani 1 1 d .
O4 O 0.5554(8) 0.7988(19) 0.9200(8) 0.301(12) Uani 1 1 d .
C17 C 1.1890(10) 0.3212(17) 0.6710(9) 0.224(12) Uani 1 1 d D
H17 H 1.1836 0.3795 0.6493 0.268 Uiso 1 1 calc R
O8 O 0.7965(10) 0.338(2) 0.1018(12) 0.371(17) Uani 1 1 d .
O7 O 0.7938(11) 0.3980(19) 0.0251(11) 0.360(15) Uani 1 1 d .
O12 O 0.3297(11) 0.9843(19) 0.7334(13) 0.384(17) Uani 1 1 d .
O18 O 0.4983(8) 0.780(3) 0.8608(8) 0.401(19) Uani 1 1 d .
O20 O 0.4757(11) 0.565(2) 1.0223(7) 0.41(2) Uani 1 1 d .
O100 O 0.4399(13) 0.533(3) 0.9263(15) 0.458(19) Uiso 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'
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
_geom_angle_site_symmetry_3
N12 Ru2 N14 173.9(3) . .
N12 Ru2 N13 98.0(4) . .
N14 Ru2 N13 77.6(4) . .
N12 Ru2 N11 78.4(3) . .
N14 Ru2 N11 97.1(3) . .
N13 Ru2 N11 89.2(3) . .
N12 Ru2 N16 96.3(3) . .
N14 Ru2 N16 88.5(3) . .
N13 Ru2 N16 97.0(3) . .
N11 Ru2 N16 172.4(3) . .
N12 Ru2 N15 86.6(3) . .
N14 Ru2 N15 98.1(4) . .
N13 Ru2 N15 173.8(3) . .
N11 Ru2 N15 95.8(3) . .
N16 Ru2 N15 78.3(3) . .
N3 Ru1 N2 90.1(3) . .
N3 Ru1 N1 95.2(4) . .
N2 Ru1 N1 78.3(4) . .
N3 Ru1 N4 80.8(5) . .
N2 Ru1 N4 95.8(4) . .
N1 Ru1 N4 172.9(4) . .
N3 Ru1 N6 173.7(4) . .
N2 Ru1 N6 95.5(4) . .
N1 Ru1 N6 88.9(4) . .
N4 Ru1 N6 95.7(4) . .
N3 Ru1 N5 95.5(3) . .
N2 Ru1 N5 172.1(4) . .
N1 Ru1 N5 95.5(4) . .
N4 Ru1 N5 90.7(3) . .
N6 Ru1 N5 79.3(4) . .
O13 Cl2 O9 112.5(12) . .
O13 Cl2 O12 97.5(16) . .
O9 Cl2 O12 102.0(16) . .
O13 Cl2 O10 126.0(13) . .
O9 Cl2 O10 113.4(11) . .
O12 Cl2 O10 99.4(16) . .
O1 Cl1 O2 97.7(19) . .
O1 Cl1 O18 157(2) . .
O2 Cl1 O18 104.8(17) . .
O1 Cl1 O3 81.9(15) . .
O2 Cl1 O3 102.5(12) . .
O18 Cl1 O3 87.0(13) . .
O1 Cl1 O4 95.0(19) . .
O2 Cl1 O4 108.2(12) . .
O18 Cl1 O4 84.0(11) . .
O3 Cl1 O4 149.3(13) . .
O8 Cl3 O5 112.9(16) . .
O8 Cl3 O6 117.4(13) . .
O5 Cl3 O6 111.3(12) . .
O8 Cl3 O7 105.0(16) . .
O5 Cl3 O7 99.7(16) . .
O6 Cl3 O7 108.5(14) . .
C59 N10 C65 106.8(8) . .
C60 N11 C71 118.7(8) . .
C60 N11 Ru2 127.1(7) . .
C71 N11 Ru2 114.0(6) . .
C59 N9 C64 108.4(9) . .
C53 N7 C45 106.0(9) . .
C69 N12 C70 116.1(9) . .
C69 N12 Ru2 128.1(7) . .
C70 N12 Ru2 115.7(7) . .
O20 Cl5 O100 112.5(19) . .
O20 Cl5 Cl5 65.6(10) . 3_667
O100 Cl5 Cl5 129.4(18) . 3_667
O20 Cl5 O20 114.4(9) . 3_667
O100 Cl5 O20 108.6(18) . 3_667
Cl5 Cl5 O20 48.7(6) 3_667 3_667
C21 N15 C25 119.0(9) . .
C21 N15 Ru2 125.3(7) . .
C25 N15 Ru2 115.7(6) . .
C30 N16 C26 118.5(9) . .
C30 N16 Ru2 126.1(8) . .
C26 N16 Ru2 115.4(7) . .
N4 C1 C2 124.2(14) . .
C6 N3 C10 117.2(12) . .
C6 N3 Ru1 115.0(9) . .
C10 N3 Ru1 127.8(10) . .
C46 N8 C53 106.0(9) . .
C40 N13 C36 119.0(10) . .
C40 N13 Ru2 125.6(9) . .
C36 N13 Ru2 115.3(8) . .
C41 N5 C52 120.1(8) . .
C41 N5 Ru1 126.0(7) . .
C52 N5 Ru1 113.9(6) . .
N12 C70 C66 123.6(9) . .
N12 C70 C71 114.4(9) . .
C66 C70 C71 121.9(10) . .
C1 N4 C5 119.2(12) . .
C1 N4 Ru1 126.9(10) . .
C5 N4 Ru1 113.8(10) . .
C50 N6 C51 117.0(10) . .
C50 N6 Ru1 128.8(9) . .
C51 N6 Ru1 114.2(7) . .
C43 C44 C45 129.1(10) . .
C43 C44 C52 118.3(9) . .
C45 C44 C52 112.5(9) . .
C35 N14 C31 118.7(10) . .
C35 N14 Ru2 116.8(8) . .
C31 N14 Ru2 124.2(8) . .
C32 C31 N14 123.5(11) . .
C67 C66 C70 118.6(10) . .
C67 C66 C65 125.5(10) . .
C70 C66 C65 115.9(9) . .
C8 C9 C10 121.3(19) . .
C58 C72 C54 120.7(11) . .
C57 C58 C72 119.9(11) . .
C57 C58 C59 122.8(11) . .
C72 C58 C59 117.2(11) . .
N5 C52 C44 120.7(9) . .
N5 C52 C51 116.9(9) . .
C44 C52 C51 122.4(10) . .
C15 N2 C11 118.0(10) . .
C15 N2 Ru1 115.8(8) . .
C11 N2 Ru1 126.1(8) . .
C71 C63 C64 117.8(9) . .
C71 C63 C62 116.2(9) . .
C64 C63 C62 126.0(10) . .
C27 C26 N16 121.4(10) . .
C27 C26 C25 124.0(11) . .
N16 C26 C25 114.7(9) . .
N9 C59 N10 109.6(9) . .
N9 C59 C58 124.3(12) . .
N10 C59 C58 126.0(10) . .
C46 C45 C44 127.0(10) . .
C46 C45 N7 104.5(9) . .
C44 C45 N7 128.5(10) . .
N8 C53 N7 111.5(9) . .
N8 C53 C54 123.6(10) . .
N7 C53 C54 124.9(11) . .
N14 C35 C34 121.6(12) . .
N14 C35 C36 113.9(10) . .
C34 C35 C36 124.5(13) . .
N10 C65 C64 106.2(9) . .
N10 C65 C66 129.2(10) . .
C64 C65 C66 124.4(10) . .
C43 C42 C41 118.9(10) . .
N15 C25 C24 119.5(9) . .
N15 C25 C26 116.0(9) . .
C24 C25 C26 124.5(10) . .
C51 C47 C48 118.3(10) . .
C51 C47 C46 118.5(10) . .
C48 C47 C46 123.2(11) . .
N8 C46 C45 111.9(10) . .
N8 C46 C47 129.8(11) . .
C45 C46 C47 118.1(10) . .
C42 C43 C44 120.5(10) . .
C68 C67 C66 120.2(11) . .
C55 C54 C72 119.4(11) . .
C55 C54 C53 121.6(11) . .
C72 C54 C53 119.0(11) . .
C16 N1 C20 119.5(12) . .
C16 N1 Ru1 115.4(10) . .
C20 N1 Ru1 125.2(9) . .
C62 C61 C60 119.2(9) . .
N9 C64 C65 109.0(9) . .
N9 C64 C63 131.5(10) . .
C65 C64 C63 119.5(10) . .
N11 C71 C63 122.5(9) . .
N11 C71 C70 117.1(9) . .
C63 C71 C70 120.4(9) . .
C47 C51 N6 123.2(10) . .
C47 C51 C52 121.3(10) . .
N6 C51 C52 115.6(10) . .
N5 C41 C42 121.4(10) . .
C15 C14 C13 121.1(16) . .
N11 C60 C61 122.4(9) . .
C67 C68 C69 118.8(10) . .
N12 C69 C68 122.6(10) . .
C34 C33 C32 125.9(12) . .
N13 C36 C37 119.4(12) . .
N13 C36 C35 115.9(11) . .
C37 C36 C35 124.6(13) . .
C61 C62 C63 121.0(9) . .
N3 C6 C7 119.5(14) . .
N3 C6 C5 116.8(12) . .
C7 C6 C5 123.6(16) . .
C28 C27 C26 121.2(11) . .
N2 C11 C12 122.1(11) . .
C23 C24 C25 121.1(11) . .
C33 C34 C35 115.9(12) . .
C56 C57 C58 119.9(12) . .
C47 C48 C49 117.3(10) . .
C27 C28 C29 119.8(11) . .
C49 C50 N6 123.9(11) . .
N3 C10 C9 123.8(15) . .
N13 C40 C39 123.2(13) . .
C31 C32 C33 114.3(13) . .
C23 C22 C21 117.1(11) . .
C50 C49 C48 120.2(11) . .
N15 C21 C22 123.9(11) . .
C9 C8 C7 118.2(17) . .
N4 C5 C4 118.2(15) . .
N4 C5 C6 113.4(13) . .
C4 C5 C6 128.4(16) . .
C30 C29 C28 118.5(11) . .
C8 C7 C6 120.0(16) . .
N16 C30 C29 120.6(11) . .
C13 C12 C11 117.5(13) . .
C17 C16 N1 128.2(16) . .
C17 C16 C15 114.9(15) . .
N1 C16 C15 116.9(12) . .
N1 C20 C19 119.0(14) . .
C1 C2 C3 115.5(17) . .
C24 C23 C22 119.3(12) . .
C40 C39 C38 116.0(14) . .
C12 C13 C14 120.7(14) . .
C19 C18 C17 111.3(17) . .
C4 C3 C2 123.1(18) . .
C18 C19 C20 125.2(18) . .
C37 C38 C39 123.2(15) . .
C54 C55 C56 119.0(12) . .
N2 C15 C14 120.7(14) . .
N2 C15 C16 113.5(10) . .
C14 C15 C16 125.8(14) . .
C38 C37 C36 119.0(14) . .
C3 C4 C5 119.4(17) . .
C57 C56 C55 120.8(13) . .
C16 C17 C18 116.8(17) . .
Cl5 O20 Cl5 65.6(9) . 3_667
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Ru2 N12 2.050(8) .
Ru2 N14 2.057(8) .
Ru2 N13 2.060(8) .
Ru2 N11 2.062(7) .
Ru2 N16 2.063(7) .
Ru2 N15 2.065(8) .
Ru1 N3 2.021(11) .
Ru1 N2 2.040(9) .
Ru1 N1 2.048(10) .
Ru1 N4 2.052(9) .
Ru1 N6 2.052(9) .
Ru1 N5 2.064(7) .
Cl2 O13 1.246(15) .
Cl2 O9 1.257(14) .
Cl2 O12 1.30(2) .
Cl2 O10 1.296(13) .
Cl1 O1 1.22(2) .
Cl1 O2 1.302(14) .
Cl1 O18 1.351(19) .
Cl1 O3 1.449(18) .
Cl1 O4 1.447(18) .
Cl3 O8 1.257(19) .
Cl3 O5 1.330(18) .
Cl3 O6 1.372(11) .
Cl3 O7 1.38(2) .
N10 C59 1.373(12) .
N10 C65 1.373(11) .
N11 C60 1.339(11) .
N11 C71 1.347(10) .
N9 C59 1.319(11) .
N9 C64 1.337(11) .
N7 C53 1.369(11) .
N7 C45 1.433(12) .
N12 C69 1.347(11) .
N12 C70 1.351(11) .
Cl5 O20 1.365(13) .
Cl5 O100 1.57(3) .
Cl5 Cl5 1.654(17) 3_667
Cl5 O20 1.654(18) 3_667
N15 C21 1.317(12) .
N15 C25 1.338(11) .
N16 C30 1.357(12) .
N16 C26 1.366(12) .
C1 N4 1.327(14) .
C1 C2 1.371(18) .
N3 C6 1.331(16) .
N3 C10 1.346(15) .
N8 C46 1.354(12) .
N8 C53 1.344(12) .
N13 C40 1.339(13) .
N13 C36 1.366(12) .
N5 C41 1.315(12) .
N5 C52 1.349(11) .
C70 C66 1.383(12) .
C70 C71 1.428(12) .
N4 C5 1.384(14) .
N6 C50 1.328(13) .
N6 C51 1.373(12) .
C44 C43 1.395(12) .
C44 C45 1.404(13) .
C44 C52 1.405(12) .
N14 C35 1.355(13) .
N14 C31 1.379(13) .
C31 C32 1.368(15) .
C66 C67 1.377(13) .
C66 C65 1.410(13) .
C9 C8 1.31(2) .
C9 C10 1.350(18) .
C72 C58 1.370(13) .
C72 C54 1.379(13) .
C58 C57 1.367(15) .
C58 C59 1.458(14) .
C52 C51 1.423(13) .
N2 C15 1.356(14) .
N2 C11 1.367(14) .
C63 C71 1.411(12) .
C63 C64 1.417(12) .
C63 C62 1.417(12) .
C26 C27 1.352(14) .
C26 C25 1.449(13) .
C45 C46 1.374(13) .
C53 C54 1.478(14) .
C35 C34 1.389(14) .
C35 C36 1.430(15) .
C65 C64 1.379(12) .
C42 C43 1.327(13) .
C42 C41 1.430(14) .
C25 C24 1.396(14) .
C47 C51 1.365(13) .
C47 C48 1.398(14) .
C47 C46 1.408(14) .
C67 C68 1.330(14) .
C54 C55 1.359(14) .
N1 C16 1.313(15) .
N1 C20 1.333(14) .
C61 C62 1.339(12) .
C61 C60 1.394(12) .
C14 C15 1.36(2) .
C14 C13 1.38(2) .
C68 C69 1.425(15) .
C33 C34 1.367(17) .
C33 C32 1.377(18) .
C36 C37 1.417(16) .
C6 C7 1.443(17) .
C6 C5 1.484(18) .
C27 C28 1.312(15) .
C11 C12 1.423(16) .
C24 C23 1.348(15) .
C57 C56 1.338(16) .
C48 C49 1.417(15) .
C28 C29 1.405(17) .
C50 C49 1.321(14) .
C40 C39 1.359(16) .
C22 C23 1.372(16) .
C22 C21 1.387(14) .
C8 C7 1.36(2) .
C5 C4 1.406(19) .
C29 C30 1.381(16) .
C12 C13 1.333(17) .
C16 C17 1.27(2) .
C16 C15 1.445(17) .
C20 C19 1.377(19) .
C2 C3 1.37(2) .
C39 C38 1.405(19) .
C18 C19 1.375(10) .
C18 C17 1.569(10) .
C3 C4 1.33(2) .
C38 C37 1.286(19) .
C55 C56 1.412(15) .
O20 Cl5 1.654(18) 3_667
loop_
_platon_squeeze_void_nr
_platon_squeeze_void_average_x
_platon_squeeze_void_average_y
_platon_squeeze_void_average_z
_platon_squeeze_void_volume
_platon_squeeze_void_count_electrons
_platon_squeeze_void_content
1 0.000 -0.042 0.268 2133 690 ' '
