#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:14:30 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178712 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/23/4082349.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_4082349
loop_
_publ_author_name
'Manimaran, Bala.'
'Vanitha, A.'
'Karthikeyan, M.'
'Ramakrishna, Buthanapalli'
'Mobin, Shaikh M.'
_publ_section_title
;
 Self-Assembly of Selenium-Bridged Rhenium(I)-Based Metalla Rectangles:
 Synthesis, Characterization, and Molecular Recognition Studies
;
_journal_issue                   2
_journal_name_full               Organometallics
_journal_page_first              465
_journal_paper_doi               10.1021/om400673f
_journal_volume                  33
_journal_year                    2014
_chemical_formula_sum            'C65 H50 Cl2 N4 O12 Re4 Se4'
_chemical_formula_weight         2210.63
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                92.962(2)
_cell_angle_beta                 102.495(2)
_cell_angle_gamma                108.160(2)
_cell_formula_units_Z            2
_cell_length_a                   11.1407(3)
_cell_length_b                   13.8641(3)
_cell_length_c                   23.4548(5)
_cell_measurement_reflns_used    8930
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.7673
_cell_measurement_theta_min      2.8936
_cell_volume                     3332.94(15)
_computing_cell_refinement       'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_data_collection       'CrysAlis CCD, Oxford Diffraction Ltd.,'
_computing_data_reduction        'CrysAlis RED, Oxford Diffraction Ltd.,'
_computing_molecular_graphics    Ortep3
_computing_publication_material  Shelx97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      150(2)
_diffrn_detector_area_resol_mean 15.9948
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'OXFORD DIFFRACTION XCALIBUR-S'
_diffrn_measurement_method       ω/q-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'Enhance (Mo) X-ray Source'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0774
_diffrn_reflns_av_sigmaI/netI    0.1589
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       30
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            31944
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         27.50
_diffrn_reflns_theta_min         3.23
_exptl_absorpt_coefficient_mu    9.568
_exptl_absorpt_correction_T_max  0.2636
_exptl_absorpt_correction_T_min  0.1748
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.31.7 (release 18-10-2006 CrysAlis171 .NET)
(compiled Oct 18 2006,16:28:17)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.203
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2068
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.19
_refine_diff_density_max         2.822
_refine_diff_density_min         -1.477
_refine_diff_density_rms         0.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.930
_refine_ls_hydrogen_treatment    riding
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         15300
_refine_ls_number_restraints     582
_refine_ls_restrained_S_all      0.925
_refine_ls_R_factor_all          0.1340
_refine_ls_R_factor_gt           0.0632
_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)+(0.0346P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0923
_refine_ls_wR_factor_ref         0.1065
_reflns_number_gt                9013
_reflns_number_total             15300
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400673f_si_002.cif
_cod_data_source_block           2
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to
/usr/data/users/saulius/automatic-downloads/current/ACS/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 2281 2013-09-26 08:29:07Z andrius 
;
_cod_original_cell_volume        3332.93(14)
_cod_database_code               4082349
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, -y, -z'
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
Re1 Re 0.00206(4) 0.56063(3) 0.34841(2) 0.02623(13) Uani 1 1 d U
Re2 Re 0.27702(4) 0.56109(3) 0.26725(2) 0.02374(12) Uani 1 1 d U
Re3 Re 0.27284(5) 0.09442(3) 0.16463(2) 0.02719(13) Uani 1 1 d U
Re4 Re 0.60777(4) 0.07679(3) 0.14964(2) 0.02362(12) Uani 1 1 d U
Se1 Se 0.10279(11) 0.65211(7) 0.26651(5) 0.0254(3) Uani 1 1 d U
Se2 Se 0.20917(12) 0.50496(8) 0.36352(6) 0.0318(3) Uani 1 1 d U
Se3 Se 0.36440(12) 0.00844(8) 0.09073(6) 0.0342(3) Uani 1 1 d U
Se4 Se 0.52163(11) 0.19066(8) 0.21167(6) 0.0288(3) Uani 1 1 d U
Cl1 Cl -0.1637(8) 0.9021(6) 0.3589(4) 0.191(4) Uani 1 1 d U
Cl2 Cl 0.0247(6) 0.9694(4) 0.2938(3) 0.124(2) Uani 1 1 d U
O1 O -0.1024 0.4492 0.4457 0.053(3) Uani 1 1 d U
O2 O -0.2300 0.6385 0.3335 0.059(3) Uani 1 1 d U
O3 O -0.1618 0.3666 0.2642 0.046(2) Uani 1 1 d U
O4 O 0.0691(8) 0.3737(6) 0.1886(4) 0.045(2) Uani 1 1 d U
O5 O 0.3472(8) 0.6467(6) 0.1569(4) 0.042(2) Uani 1 1 d U
O6 O 0.4767(9) 0.4513(6) 0.2702(4) 0.046(2) Uani 1 1 d U
O7 O -0.0100(10) -0.0222(7) 0.0986(5) 0.073(3) Uani 1 1 d U
O8 O 0.1882(9) 0.2163(7) 0.2525(5) 0.057(3) Uani 1 1 d U
O9 O 0.2675(9) -0.0703(7) 0.2473(5) 0.054(3) Uani 1 1 d U
O10 O 0.5579(9) -0.0936(6) 0.2287(4) 0.048(2) Uani 1 1 d U
O11 O 0.8891(9) 0.1616(6) 0.2241(4) 0.050(3) Uani 1 1 d U
O12 O 0.6890(8) -0.0583(5) 0.0696(4) 0.041(2) Uani 1 1 d U
N1 N 0.1347(9) 0.7018(6) 0.4089(5) 0.029(2) Uani 1 1 d U
N2 N 0.4160(8) 0.6961(6) 0.3297(4) 0.026(2) Uani 1 1 d U
N3 N 0.2918(8) 0.2159(6) 0.1062(4) 0.022(2) Uani 1 1 d U
N4 N 0.6275(8) 0.2042(6) 0.0930(4) 0.023(2) Uani 1 1 d U
C1 C -0.0600 0.4945 0.4086 0.031(3) Uani 1 1 d U
C2 C -0.1392 0.6076 0.3380 0.036(3) Uani 1 1 d U
C3 C -0.1018 0.4401 0.2947 0.034(3) Uani 1 1 d U
C4 C 0.1495(11) 0.4445(8) 0.2185(5) 0.032(3) Uani 1 1 d U
C5 C 0.3225(10) 0.6145(8) 0.2008(6) 0.026(3) Uani 1 1 d U
C6 C 0.4033(12) 0.4949(8) 0.2712(5) 0.032(3) Uani 1 1 d U
C7 C 0.1388(10) 0.7956(7) 0.3946(5) 0.030(3) Uani 1 1 d U
H7 H 0.0876 0.8012 0.3577 0.036 Uiso 1 1 calc R
C8 C 0.2148(11) 0.8829(8) 0.4318(5) 0.031(3) Uani 1 1 d U
H8 H 0.2194 0.9482 0.4200 0.037 Uiso 1 1 calc R
C9 C 0.2863(11) 0.8750(8) 0.4880(5) 0.027(3) Uani 1 1 d U
C10 C 0.2842(11) 0.7789(8) 0.5002(6) 0.035(3) Uani 1 1 d U
H10 H 0.3356 0.7711 0.5365 0.042 Uiso 1 1 calc R
C11 C 0.2085(11) 0.6930(8) 0.4605(6) 0.032(3) Uani 1 1 d U
H11 H 0.2088 0.6272 0.4698 0.038 Uiso 1 1 calc R
C12 C 0.4155(10) 0.7911(7) 0.3241(5) 0.026(3) Uani 1 1 d U
H12 H 0.3630 0.8025 0.2891 0.032 Uiso 1 1 calc R
C13 C 0.4852(10) 0.8718(8) 0.3651(6) 0.029(3) Uani 1 1 d U
H13 H 0.4812 0.9380 0.3587 0.035 Uiso 1 1 calc R
C14 C 0.5641(11) 0.8585(8) 0.4175(6) 0.030(3) Uani 1 1 d U
C15 C 0.5706(11) 0.7636(8) 0.4229(6) 0.035(3) Uani 1 1 d U
H15 H 0.6268 0.7515 0.4564 0.042 Uiso 1 1 calc R
C16 C 0.4936(10) 0.6838(8) 0.3787(5) 0.027(3) Uani 1 1 d U
H16 H 0.4965 0.6169 0.3837 0.032 Uiso 1 1 calc R
C17 C -0.0266(10) 0.5934(8) 0.1908(5) 0.025(3) Uani 1 1 d U
H17A H 0.0179 0.6056 0.1583 0.030 Uiso 1 1 calc R
H17B H -0.0643 0.5184 0.1903 0.030 Uiso 1 1 calc R
C18 C -0.1322(11) 0.6373(8) 0.1808(5) 0.032(3) Uani 1 1 d U
C19 C -0.1090(12) 0.7342(8) 0.1617(6) 0.036(3) Uani 1 1 d U
H19 H -0.0257 0.7696 0.1556 0.044 Uiso 1 1 calc R
C20 C -0.2051(12) 0.7791(9) 0.1516(6) 0.039(3) Uani 1 1 d U
H20 H -0.1887 0.8441 0.1379 0.047 Uiso 1 1 calc R
C21 C -0.3266(12) 0.7277(9) 0.1618(6) 0.042(3) Uani 1 1 d U
H21 H -0.3942 0.7570 0.1545 0.050 Uiso 1 1 calc R
C22 C -0.3474(12) 0.6351(9) 0.1825(6) 0.039(3) Uani 1 1 d U
H22 H -0.4292 0.6012 0.1904 0.047 Uiso 1 1 calc R
C23 C -0.2518(12) 0.5895(9) 0.1920(6) 0.037(3) Uani 1 1 d U
H23 H -0.2685 0.5250 0.2064 0.044 Uiso 1 1 calc R
C24 C 0.1491(12) 0.3533(8) 0.3534(6) 0.040(3) Uani 1 1 d U
H24A H 0.0745 0.3276 0.3185 0.048 Uiso 1 1 calc R
H24B H 0.2202 0.3304 0.3454 0.048 Uiso 1 1 calc R
C25 C 0.1099(12) 0.3075(9) 0.4034(7) 0.042(3) Uani 1 1 d U
C26 C 0.1704(16) 0.3508(12) 0.4623(8) 0.066(5) Uani 1 1 d U
H26 H 0.2348 0.4168 0.4710 0.079 Uiso 1 1 calc R
C27 C 0.1365(17) 0.2981(13) 0.5065(9) 0.074(5) Uani 1 1 d U
H27 H 0.1754 0.3302 0.5459 0.088 Uiso 1 1 calc R
C28 C 0.052(2) 0.2039(15) 0.4977(10) 0.099(7) Uani 1 1 d U
H28 H 0.0312 0.1693 0.5301 0.118 Uiso 1 1 calc R
C29 C 0.000(2) 0.1624(16) 0.4474(11) 0.114(7) Uani 1 1 d U
H29 H -0.0557 0.0933 0.4419 0.137 Uiso 1 1 calc R
C30 C 0.0187(17) 0.2118(12) 0.3943(9) 0.087(6) Uani 1 1 d U
H30 H -0.0299 0.1792 0.3559 0.104 Uiso 1 1 calc R
C33 C 0.0965(13) 0.0236(9) 0.1254(7) 0.048(4) Uani 1 1 d U
C34 C 0.2194(11) 0.1704(9) 0.2197(6) 0.038(3) Uani 1 1 d U
C35 C 0.2667(12) -0.0094(9) 0.2151(6) 0.038(3) Uani 1 1 d U
C36 C 0.5783(11) -0.0279(9) 0.1996(6) 0.032(3) Uani 1 1 d U
C37 C 0.7856(12) 0.1327(8) 0.1962(6) 0.035(3) Uani 1 1 d U
C38 C 0.6571(10) -0.0070(8) 0.0984(6) 0.026(3) Uani 1 1 d U
C39 C 0.3514(11) 0.3180(8) 0.1286(6) 0.036(3) Uani 1 1 d U
H39 H 0.3871 0.3358 0.1699 0.044 Uiso 1 1 calc R
C40 C 0.3607(12) 0.3947(8) 0.0934(6) 0.036(3) Uani 1 1 d U
H40 H 0.4032 0.4638 0.1107 0.044 Uiso 1 1 calc R
C41 C 0.3094(10) 0.3731(7) 0.0330(5) 0.023(3) Uani 1 1 d U
C42 C 0.2491(10) 0.2707(7) 0.0107(5) 0.028(3) Uani 1 1 d U
H42 H 0.2128 0.2518 -0.0305 0.034 Uiso 1 1 calc R
C43 C 0.2414(10) 0.1959(7) 0.0476(5) 0.025(3) Uani 1 1 d U
H43 H 0.1981 0.1266 0.0308 0.030 Uiso 1 1 calc R
C44 C 0.7012(10) 0.3001(7) 0.1164(5) 0.023(3) Uani 1 1 d U
H44 H 0.7479 0.3129 0.1565 0.027 Uiso 1 1 calc R
C45 C 0.7111(11) 0.3804(7) 0.0840(5) 0.029(3) Uani 1 1 d U
H45 H 0.7665 0.4472 0.1015 0.034 Uiso 1 1 calc R
C46 C 0.6412(10) 0.3651(7) 0.0259(5) 0.025(3) Uani 1 1 d U
C47 C 0.5678(11) 0.2647(7) 0.0031(5) 0.029(3) Uani 1 1 d U
H47 H 0.5207 0.2492 -0.0370 0.035 Uiso 1 1 calc R
C48 C 0.5625(11) 0.1893(8) 0.0368(6) 0.032(3) Uani 1 1 d U
H48 H 0.5096 0.1216 0.0197 0.039 Uiso 1 1 calc R
C49 C 0.3091(11) -0.1441(7) 0.0999(6) 0.041(3) Uani 1 1 d U
H49A H 0.3816 -0.1705 0.0987 0.049 Uiso 1 1 calc R
H49B H 0.2868 -0.1545 0.1383 0.049 Uiso 1 1 calc R
C50 C 0.1904(11) -0.2017(8) 0.0496(6) 0.034(3) Uani 1 1 d U
C51 C 0.1224(13) -0.2972(10) 0.0564(7) 0.054(4) Uani 1 1 d U
H51 H 0.1434 -0.3187 0.0940 0.065 Uiso 1 1 calc R
C52 C 0.0267(15) -0.3651(11) 0.0144(8) 0.064(5) Uani 1 1 d U
H52 H -0.0210 -0.4302 0.0230 0.077 Uiso 1 1 calc R
C53 C -0.0001(15) -0.3374(11) -0.0414(8) 0.064(5) Uani 1 1 d U
H53 H -0.0617 -0.3864 -0.0723 0.077 Uiso 1 1 calc R
C54 C 0.0600(11) -0.2408(8) -0.0533(6) 0.036(3) Uani 1 1 d U
H54 H 0.0363 -0.2199 -0.0908 0.043 Uiso 1 1 calc R
C55 C 0.1574(13) -0.1748(10) -0.0077(7) 0.051(4) Uani 1 1 d U
H55 H 0.2038 -0.1087 -0.0154 0.061 Uiso 1 1 calc R
C56 C 0.5700(11) 0.1539(8) 0.2930(5) 0.034(3) Uani 1 1 d U
H56A H 0.5288 0.0794 0.2926 0.041 Uiso 1 1 calc R
H56B H 0.6657 0.1701 0.3053 0.041 Uiso 1 1 calc R
C57 C 0.5271(12) 0.2116(9) 0.3368(6) 0.037(3) Uani 1 1 d U
C58 C 0.5970(13) 0.3137(9) 0.3567(6) 0.042(3) Uani 1 1 d U
H58 H 0.6690 0.3474 0.3413 0.051 Uiso 1 1 calc R
C59 C 0.5634(15) 0.3685(11) 0.3994(7) 0.058(4) Uani 1 1 d U
H59 H 0.6146 0.4377 0.4141 0.070 Uiso 1 1 calc R
C60 C 0.4559(15) 0.3210(11) 0.4196(7) 0.065(5) Uani 1 1 d U
H60 H 0.4307 0.3578 0.4475 0.078 Uiso 1 1 calc R
C61 C 0.3853(13) 0.2213(10) 0.3996(6) 0.051(4) Uani 1 1 d U
H61 H 0.3118 0.1882 0.4142 0.061 Uiso 1 1 calc R
C62 C 0.4194(12) 0.1675(10) 0.3583(6) 0.045(4) Uani 1 1 d U
H62 H 0.3674 0.0983 0.3442 0.054 Uiso 1 1 calc R
C63 C 0.3646(11) 0.9629(8) 0.5352(6) 0.041(3) Uani 1 1 d U
H63 H 0.4237 0.9502 0.5672 0.050 Uiso 1 1 calc R
C64 C 0.3583(11) 1.0570(8) 0.5360(5) 0.032(3) Uani 1 1 d U
H64 H 0.2994 1.0704 0.5041 0.039 Uiso 1 1 calc R
C65 C 0.3124(10) 0.4539(7) -0.0041(5) 0.022(3) Uani 1 1 d U
H65 H 0.2776 0.4326 -0.0452 0.027 Uiso 1 1 calc R
C66 C 0.3576(10) 0.5528(8) 0.0124(5) 0.028(3) Uani 1 1 d U
H66 H 0.3934 0.5745 0.0534 0.033 Uiso 1 1 calc R
C111 C -0.133(2) 0.9100(18) 0.2910(11) 0.147(9) Uani 1 1 d U
H11A H -0.1609 0.8401 0.2698 0.176 Uiso 1 1 calc R
H11B H -0.1859 0.9476 0.2685 0.176 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'
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'
Se Se -0.0929 2.2259 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Re Re -1.0185 7.2310 '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_3
C2 Re1 C1 86.32(2) .
C2 Re1 C3 90.17(2) .
C1 Re1 C3 88.532(18) .
C2 Re1 N1 92.8(2) .
C1 Re1 N1 93.9(3) .
C3 Re1 N1 176.3(2) .
C2 Re1 Se2 176.86(3) .
C1 Re1 Se2 95.57(4) .
C3 Re1 Se2 92.38(3) .
N1 Re1 Se2 84.6(2) .
C2 Re1 Se1 96.98(3) .
C1 Re1 Se1 176.54(4) .
C3 Re1 Se1 92.47(3) .
N1 Re1 Se1 85.0(3) .
Se2 Re1 Se1 81.09(4) .
C5 Re2 C6 88.4(5) .
C5 Re2 C4 89.9(5) .
C6 Re2 C4 89.8(5) .
C5 Re2 N2 94.3(4) .
C6 Re2 N2 92.7(4) .
C4 Re2 N2 175.2(4) .
C5 Re2 Se2 173.7(3) .
C6 Re2 Se2 96.7(4) .
C4 Re2 Se2 93.7(4) .
N2 Re2 Se2 81.9(2) .
C5 Re2 Se1 93.8(3) .
C6 Re2 Se1 177.6(4) .
C4 Re2 Se1 91.1(3) .
N2 Re2 Se1 86.2(2) .
Se2 Re2 Se1 81.01(4) .
C33 Re3 C35 89.4(6) .
C33 Re3 C34 90.7(5) .
C35 Re3 C34 89.8(5) .
C33 Re3 N3 93.3(5) .
C35 Re3 N3 176.7(4) .
C34 Re3 N3 92.1(4) .
C33 Re3 Se3 93.9(4) .
C35 Re3 Se3 93.7(4) .
C34 Re3 Se3 174.3(3) .
N3 Re3 Se3 84.3(2) .
C33 Re3 Se4 175.8(4) .
C35 Re3 Se4 92.6(4) .
C34 Re3 Se4 93.0(3) .
N3 Re3 Se4 84.6(2) .
Se3 Re3 Se4 82.32(4) .
C36 Re4 C38 90.3(5) .
C36 Re4 C37 88.6(5) .
C38 Re4 C37 90.6(5) .
C36 Re4 N4 174.7(4) .
C38 Re4 N4 94.2(4) .
C37 Re4 N4 94.2(4) .
C36 Re4 Se3 91.5(4) .
C38 Re4 Se3 92.7(3) .
C37 Re4 Se3 176.7(3) .
N4 Re4 Se3 85.4(2) .
C36 Re4 Se4 92.1(3) .
C38 Re4 Se4 174.6(4) .
C37 Re4 Se4 94.3(3) .
N4 Re4 Se4 83.2(2) .
Se3 Re4 Se4 82.44(4) .
C17 Se1 Re1 106.7(3) .
C17 Se1 Re2 103.8(3) .
Re1 Se1 Re2 97.49(4) .
C24 Se2 Re1 107.3(4) .
C24 Se2 Re2 106.5(4) .
Re1 Se2 Re2 97.83(5) .
C49 Se3 Re3 106.4(3) .
C49 Se3 Re4 103.1(4) .
Re3 Se3 Re4 97.01(4) .
C56 Se4 Re4 102.6(3) .
C56 Se4 Re3 109.5(3) .
Re4 Se4 Re3 96.24(4) .
C11 N1 C7 119.6(9) .
C11 N1 Re1 119.8(7) .
C7 N1 Re1 120.6(8) .
C12 N2 C16 116.4(9) .
C12 N2 Re2 122.4(8) .
C16 N2 Re2 120.8(7) .
C43 N3 C39 116.0(10) .
C43 N3 Re3 122.6(6) .
C39 N3 Re3 121.2(8) .
C48 N4 C44 117.5(10) .
C48 N4 Re4 122.3(7) .
C44 N4 Re4 120.1(8) .
O1 C1 Re1 177.665(13) .
O2 C2 Re1 177.581(15) .
O3 C3 Re1 177.586(16) .
O4 C4 Re2 178.5(10) .
O5 C5 Re2 177.6(10) .
O6 C6 Re2 175.8(10) .
N1 C7 C8 121.8(12) .
C7 C8 C9 119.5(11) .
C10 C9 C8 117.1(10) .
C10 C9 C63 117.4(12) .
C8 C9 C63 125.5(11) .
C9 C10 C11 121.1(12) .
N1 C11 C10 120.6(11) .
N2 C12 C13 123.6(12) .
C12 C13 C14 120.0(10) .
C15 C14 C13 117.3(10) .
C15 C14 C64 120.0(12) 2_676
C13 C14 C64 122.7(10) 2_676
C14 C15 C16 119.0(12) .
N2 C16 C15 123.6(10) .
C18 C17 Se1 112.6(7) .
C23 C18 C19 118.4(11) .
C23 C18 C17 122.7(11) .
C19 C18 C17 118.9(11) .
C20 C19 C18 121.2(12) .
C19 C20 C21 119.3(12) .
C22 C21 C20 119.4(12) .
C21 C22 C23 121.4(12) .
C18 C23 C22 120.3(12) .
C25 C24 Se2 114.7(9) .
C30 C25 C26 116.9(15) .
C30 C25 C24 119.1(14) .
C26 C25 C24 123.6(12) .
C27 C26 C25 119.8(16) .
C28 C27 C26 123(2) .
C29 C28 C27 119(2) .
C28 C29 C30 125(2) .
C25 C30 C29 116.2(18) .
O7 C33 Re3 176.2(13) .
O8 C34 Re3 179.5(12) .
O9 C35 Re3 177.3(12) .
O10 C36 Re4 178.1(11) .
O11 C37 Re4 177.2(11) .
O12 C38 Re4 177.4(11) .
C40 C39 N3 122.2(12) .
C39 C40 C41 121.3(10) .
C42 C41 C40 116.3(11) .
C42 C41 C65 122.0(11) .
C40 C41 C65 121.6(9) .
C43 C42 C41 120.6(11) .
N3 C43 C42 123.5(9) .
N4 C44 C45 121.8(11) .
C44 C45 C46 120.6(10) .
C45 C46 C47 115.8(11) .
C45 C46 C66 124.8(10) 2_665
C47 C46 C66 119.4(11) 2_665
C48 C47 C46 120.9(12) .
N4 C48 C47 123.4(10) .
C50 C49 Se3 108.8(9) .
C51 C50 C55 114.7(12) .
C51 C50 C49 116.4(13) .
C55 C50 C49 127.7(11) .
C50 C51 C52 125.5(16) .
C51 C52 C53 118.1(15) .
C54 C53 C52 121.6(14) .
C53 C54 C55 116.7(14) .
C54 C55 C50 123.0(12) .
C57 C56 Se4 111.5(8) .
C62 C57 C58 117.2(12) .
C62 C57 C56 123.1(11) .
C58 C57 C56 119.6(11) .
C57 C58 C59 121.2(13) .
C60 C59 C58 119.2(14) .
C61 C60 C59 120.0(14) .
C60 C61 C62 120.6(14) .
C61 C62 C57 121.7(12) .
C64 C63 C9 125.6(13) .
C63 C64 C14 124.6(12) 2_676
C66 C65 C41 127.5(11) .
C65 C66 C46 127.0(11) 2_665
Cl2 C111 Cl1 112.8(15) .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 C2 1.8573(5) .
Re1 C1 1.8641(5) .
Re1 C3 1.9139(4) .
Re1 N1 2.242(8) .
Re1 Se2 2.6133(13) .
Re1 Se1 2.6183(13) .
Re2 C5 1.859(13) .
Re2 C6 1.894(13) .
Re2 C4 1.901(10) .
Re2 N2 2.230(8) .
Re2 Se2 2.6134(14) .
Re2 Se1 2.6221(12) .
Re3 C33 1.896(14) .
Re3 C35 1.905(14) .
Re3 C34 1.928(14) .
Re3 N3 2.215(9) .
Re3 Se3 2.6030(13) .
Re3 Se4 2.6266(13) .
Re4 C36 1.906(13) .
Re4 C38 1.906(11) .
Re4 C37 1.933(12) .
Re4 N4 2.249(9) .
Re4 Se3 2.6078(13) .
Re4 Se4 2.6156(12) .
Se1 C17 1.976(10) .
Se2 C24 1.981(10) .
Se3 C49 2.047(10) .
Se4 C56 2.003(13) .
Cl1 C111 1.70(2) .
Cl2 C111 1.68(2) .
O1 C1 1.1921 .
O2 C2 1.2034 .
O3 C3 1.1356 .
O4 C4 1.169(11) .
O5 C5 1.196(14) .
O6 C6 1.161(13) .
O7 C33 1.171(14) .
O8 C34 1.149(14) .
O9 C35 1.162(14) .
O10 C36 1.162(14) .
O11 C37 1.131(13) .
O12 C38 1.140(11) .
N1 C11 1.342(15) .
N1 C7 1.350(14) .
N2 C12 1.332(12) .
N2 C16 1.334(14) .
N3 C43 1.345(14) .
N3 C39 1.382(12) .
N4 C48 1.331(15) .
N4 C44 1.339(11) .
C7 C8 1.371(13) .
C8 C9 1.413(16) .
C9 C10 1.372(15) .
C9 C63 1.500(14) .
C10 C11 1.385(14) .
C12 C13 1.344(13) .
C13 C14 1.405(16) .
C14 C15 1.350(15) .
C14 C64 1.462(14) 2_676
C15 C16 1.394(14) .
C17 C18 1.467(14) .
C18 C23 1.380(15) .
C18 C19 1.402(15) .
C19 C20 1.382(15) .
C20 C21 1.398(16) .
C21 C22 1.366(17) .
C22 C23 1.384(16) .
C24 C25 1.447(18) .
C25 C30 1.369(18) .
C25 C26 1.41(2) .
C26 C27 1.35(2) .
C27 C28 1.33(2) .
C28 C29 1.22(3) .
C29 C30 1.47(3) .
C39 C40 1.372(16) .
C40 C41 1.386(16) .
C41 C42 1.385(12) .
C41 C65 1.450(15) .
C42 C43 1.379(15) .
C44 C45 1.370(14) .
C45 C46 1.383(16) .
C46 C47 1.385(13) .
C46 C66 1.484(15) 2_665
C47 C48 1.337(15) .
C49 C50 1.531(17) .
C50 C51 1.343(16) .
C50 C55 1.415(18) .
C51 C52 1.349(18) .
C52 C53 1.38(2) .
C53 C54 1.371(18) .
C54 C55 1.391(16) .
C56 C57 1.514(15) .
C57 C62 1.379(17) .
C57 C58 1.384(15) .
C58 C59 1.409(17) .
C59 C60 1.370(19) .
C60 C61 1.359(17) .
C61 C62 1.378(17) .
C63 C64 1.327(15) .
C64 C14 1.462(14) 2_676
C65 C66 1.310(13) .
C66 C46 1.484(15) 2_665
