#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:14:30 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178712 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/23/4082347.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_4082347
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            'C62 H48 N4 O14 Re4 Se4'
_chemical_formula_weight         2133.68
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/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                 117.706(16)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.018(2)
_cell_length_b                   24.330(3)
_cell_length_c                   15.287(2)
_cell_measurement_reflns_used    5657
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.5375
_cell_measurement_theta_min      3.0039
_cell_volume                     6591.7(17)
_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 0.997
_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  0.0311
_diffrn_reflns_av_sigmaI/netI    0.0315
_diffrn_reflns_limit_h_max       23
_diffrn_reflns_limit_h_min       -23
_diffrn_reflns_limit_k_max       28
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23454
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.01
_exptl_absorpt_coefficient_mu    9.595
_exptl_absorpt_correction_T_max  0.3685
_exptl_absorpt_correction_T_min  0.2163
_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            colourless
_exptl_crystal_density_diffrn    2.150
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3984
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.17
_exptl_crystal_size_min          0.13
_refine_diff_density_max         0.703
_refine_diff_density_min         -0.464
_refine_diff_density_rms         0.096
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.954
_refine_ls_hydrogen_treatment    RIDING
_refine_ls_matrix_type           full
_refine_ls_number_parameters     453
_refine_ls_number_reflns         5791
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.954
_refine_ls_R_factor_all          0.0272
_refine_ls_R_factor_gt           0.0185
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0193P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0383
_refine_ls_wR_factor_ref         0.0391
_reflns_number_gt                4793
_reflns_number_total             5791
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400673f_si_002.cif
_cod_data_source_block           1a
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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        6591.7(14)
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               4082347
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
Re1 Re 0.945785(9) 0.878491(7) 0.102066(12) 0.02072(5) Uani 1 1 d .
Re2 Re 0.907132(9) 0.407364(7) 0.119533(12) 0.02047(5) Uani 1 1 d .
Se1 Se 0.91603(2) 0.875018(16) 0.25121(3) 0.02158(9) Uani 1 1 d .
Se2 Se 0.94649(2) 0.417793(16) 0.30853(3) 0.02174(10) Uani 1 1 d .
O1 O 0.78261(17) 0.87760(14) -0.0627(2) 0.0477(9) Uani 1 1 d .
O2 O 0.9966(2) 0.86728(15) -0.0560(3) 0.0566(10) Uani 1 1 d .
O3 O 0.95492(18) 1.00382(13) 0.0932(2) 0.0476(9) Uani 1 1 d .
O4 O 0.73726(17) 0.40922(14) 0.0471(2) 0.0459(9) Uani 1 1 d .
O5 O 0.89588(18) 0.28201(13) 0.1262(2) 0.0475(9) Uani 1 1 d .
O6 O 0.88069(17) 0.40122(14) -0.0935(2) 0.0409(8) Uani 1 1 d .
N1 N 0.94229(17) 0.78798(13) 0.1177(2) 0.0210(8) Uani 1 1 d .
N2 N 0.91233(17) 0.49852(13) 0.1211(2) 0.0221(8) Uani 1 1 d .
C1 C 0.8444(3) 0.87803(17) -0.0001(3) 0.0309(10) Uani 1 1 d .
C2 C 0.9773(2) 0.87197(19) 0.0038(3) 0.0333(11) Uani 1 1 d .
C3 C 0.9513(2) 0.95723(18) 0.0974(3) 0.0275(10) Uani 1 1 d .
C4 C 0.8016(2) 0.40889(17) 0.0761(3) 0.0300(10) Uani 1 1 d .
C5 C 0.9020(2) 0.32966(19) 0.1241(3) 0.0299(10) Uani 1 1 d .
C6 C 0.8894(2) 0.40328(17) -0.0130(3) 0.0268(10) Uani 1 1 d .
C7 C 0.8812(2) 0.76335(17) 0.1155(3) 0.0248(10) Uani 1 1 d .
C8 C 0.8730(2) 0.70788(17) 0.1180(3) 0.0234(9) Uani 1 1 d .
C9 C 0.9293(2) 0.67373(16) 0.1211(3) 0.0203(9) Uani 1 1 d .
C10 C 0.9928(2) 0.69850(17) 0.1241(3) 0.0229(9) Uani 1 1 d .
C11 C 0.9972(2) 0.75470(17) 0.1226(3) 0.0215(9) Uani 1 1 d .
C12 C 0.9431(2) 0.52462(18) 0.0713(3) 0.0247(10) Uani 1 1 d .
C13 C 0.9494(2) 0.58068(17) 0.0704(3) 0.0244(10) Uani 1 1 d .
C14 C 0.9227(2) 0.61333(16) 0.1212(3) 0.0203(9) Uani 1 1 d .
C15 C 0.8887(2) 0.58647(17) 0.1701(3) 0.0240(10) Uani 1 1 d .
C16 C 0.8847(2) 0.53026(17) 0.1681(3) 0.0222(9) Uani 1 1 d .
C17 C 0.8613(2) 0.93928(16) 0.2538(3) 0.0230(9) Uani 1 1 d .
C18 C 0.8173(3) 0.9678(2) 0.1684(3) 0.0394(13) Uani 1 1 d .
C19 C 0.7739(3) 1.0117(2) 0.1698(4) 0.0483(14) Uani 1 1 d .
C20 C 0.7750(3) 1.0275(2) 0.2562(4) 0.0408(13) Uani 1 1 d .
C21 C 0.8182(3) 0.9986(2) 0.3414(4) 0.0385(12) Uani 1 1 d .
C22 C 0.8609(3) 0.9544(2) 0.3398(3) 0.0346(12) Uani 1 1 d .
C23 C 0.8969(2) 0.35799(17) 0.3367(3) 0.0262(10) Uani 1 1 d .
C24 C 0.8302(3) 0.3700(2) 0.3359(4) 0.0372(12) Uani 1 1 d .
C25 C 0.7910(3) 0.3296(3) 0.3531(4) 0.0533(16) Uani 1 1 d .
C26 C 0.8170(3) 0.2762(2) 0.3721(4) 0.0440(13) Uani 1 1 d .
C27 C 0.8846(3) 0.2647(2) 0.3729(4) 0.0426(14) Uani 1 1 d .
C28 C 0.9246(2) 0.30530(19) 0.3555(3) 0.0333(11) Uani 1 1 d .
C111 C 0.7636(3) 0.8103(3) 0.6502(5) 0.085(2) Uani 1 1 d .
H11A H 0.7459 0.8256 0.5838 0.127 Uiso 1 1 calc R
H11B H 0.8110 0.7904 0.6695 0.127 Uiso 1 1 calc R
H11C H 0.7721 0.8402 0.6972 0.127 Uiso 1 1 calc R
C222 C 0.7060(3) 0.7721(3) 0.6506(5) 0.0650(18) Uani 1 1 d .
C333 C 0.6982(4) 0.7167(3) 0.6035(5) 0.093(2) Uani 1 1 d .
H33A H 0.7452 0.6960 0.6395 0.139 Uiso 1 1 calc R
H33B H 0.6877 0.7214 0.5346 0.139 Uiso 1 1 calc R
H33C H 0.6566 0.6965 0.6056 0.139 Uiso 1 1 calc R
O111 O 0.6670(2) 0.78533(19) 0.6893(3) 0.0840(14) Uani 1 1 d .
H7 H 0.841(3) 0.786(3) 0.112(4) 0.101 Uiso 1 1 d .
H8 H 0.827(3) 0.691(3) 0.113(4) 0.101 Uiso 1 1 d .
H10 H 1.033(3) 0.679(3) 0.122(4) 0.101 Uiso 1 1 d .
H11 H 1.036(3) 0.774(3) 0.126(4) 0.101 Uiso 1 1 d .
H12 H 0.962(3) 0.501(3) 0.043(4) 0.101 Uiso 1 1 d .
H13 H 0.972(4) 0.595(3) 0.039(4) 0.101 Uiso 1 1 d .
H15 H 0.864(4) 0.605(3) 0.196(4) 0.101 Uiso 1 1 d .
H16 H 0.863(3) 0.513(3) 0.202(4) 0.101 Uiso 1 1 d .
H18 H 0.815(4) 0.960(3) 0.119(4) 0.101 Uiso 1 1 d .
H19 H 0.735(3) 1.026(3) 0.104(4) 0.101 Uiso 1 1 d .
H20 H 0.749(3) 1.055(3) 0.266(4) 0.101 Uiso 1 1 d .
H21 H 0.822(3) 1.009(3) 0.400(4) 0.101 Uiso 1 1 d .
H22 H 0.887(4) 0.939(3) 0.386(4) 0.101 Uiso 1 1 d .
H24 H 0.816(4) 0.400(3) 0.327(5) 0.101 Uiso 1 1 d .
H25 H 0.751(3) 0.337(3) 0.344(5) 0.101 Uiso 1 1 d .
H26 H 0.781(3) 0.242(3) 0.365(4) 0.101 Uiso 1 1 d .
H27 H 0.898(4) 0.234(3) 0.380(5) 0.101 Uiso 1 1 d .
H28 H 0.967(3) 0.297(3) 0.359(4) 0.101 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'
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_1
_geom_angle_site_symmetry_3
C2 Re1 C1 88.27(19) . .
C2 Re1 C3 90.49(19) . .
C1 Re1 C3 91.89(17) . .
C2 Re1 N1 92.38(16) . .
C1 Re1 N1 90.44(15) . .
C3 Re1 N1 176.36(15) . .
C2 Re1 Se1 171.26(14) . .
C1 Re1 Se1 97.34(14) . .
C3 Re1 Se1 96.00(13) . .
N1 Re1 Se1 80.92(8) . .
C2 Re1 Se1 93.87(13) . 2_755
C1 Re1 Se1 176.81(13) . 2_755
C3 Re1 Se1 90.46(11) . 2_755
N1 Re1 Se1 87.11(8) . 2_755
Se1 Re1 Se1 80.261(19) . 2_755
C6 Re2 C5 90.02(18) . .
C6 Re2 C4 90.10(17) . .
C5 Re2 C4 87.82(18) . .
C6 Re2 N2 92.77(15) . .
C5 Re2 N2 177.08(16) . .
C4 Re2 N2 91.33(15) . .
C6 Re2 Se2 94.10(12) . 2_755
C5 Re2 Se2 98.64(12) . 2_755
C4 Re2 Se2 172.28(13) . 2_755
N2 Re2 Se2 82.01(8) . 2_755
C6 Re2 Se2 173.65(12) . .
C5 Re2 Se2 92.85(13) . .
C4 Re2 Se2 95.67(13) . .
N2 Re2 Se2 84.46(8) . .
Se2 Re2 Se2 79.87(2) 2_755 .
C17 Se1 Re1 110.85(13) . .
C17 Se1 Re1 109.88(11) . 2_755
Re1 Se1 Re1 99.618(19) . 2_755
C23 Se2 Re2 115.25(12) . 2_755
C23 Se2 Re2 104.56(12) . .
Re2 Se2 Re2 99.04(2) 2_755 .
C11 N1 C7 116.4(3) . .
C11 N1 Re1 122.6(3) . .
C7 N1 Re1 120.8(3) . .
C16 N2 C12 116.5(4) . .
C16 N2 Re2 123.6(3) . .
C12 N2 Re2 119.9(3) . .
O1 C1 Re1 179.7(5) . .
O2 C2 Re1 179.1(4) . .
O3 C3 Re1 178.6(4) . .
O4 C4 Re2 178.0(4) . .
O5 C5 Re2 177.3(4) . .
O6 C6 Re2 177.9(4) . .
N1 C7 C8 124.0(4) . .
N1 C7 H7 118(4) . .
C8 C7 H7 118(4) . .
C7 C8 C9 119.3(4) . .
C7 C8 H8 123(4) . .
C9 C8 H8 118(4) . .
C8 C9 C10 117.3(4) . .
C8 C9 C14 121.8(4) . .
C10 C9 C14 120.9(4) . .
C11 C10 C9 119.9(4) . .
C11 C10 H10 116(4) . .
C9 C10 H10 124(4) . .
N1 C11 C10 123.1(4) . .
N1 C11 H11 111(4) . .
C10 C11 H11 126(4) . .
N2 C12 C13 123.1(4) . .
N2 C12 H12 113(4) . .
C13 C12 H12 124(4) . .
C12 C13 C14 120.3(4) . .
C12 C13 H13 118(4) . .
C14 C13 H13 121(4) . .
C13 C14 C15 116.6(4) . .
C13 C14 C9 120.9(4) . .
C15 C14 C9 122.5(4) . .
C16 C15 C14 119.8(4) . .
C16 C15 H15 119(4) . .
C14 C15 H15 121(4) . .
N2 C16 C15 123.6(4) . .
N2 C16 H16 118(4) . .
C15 C16 H16 118(4) . .
C22 C17 C18 119.3(4) . .
C22 C17 Se1 119.8(3) . .
C18 C17 Se1 120.7(3) . .
C17 C18 C19 120.3(4) . .
C17 C18 H18 122(5) . .
C19 C18 H18 117(5) . .
C20 C19 C18 120.2(5) . .
C20 C19 H19 123(4) . .
C18 C19 H19 116(4) . .
C19 C20 C21 119.5(5) . .
C19 C20 H20 128(4) . .
C21 C20 H20 112(4) . .
C20 C21 C22 120.2(5) . .
C20 C21 H21 122(4) . .
C22 C21 H21 118(4) . .
C17 C22 C21 120.4(4) . .
C17 C22 H22 118(5) . .
C21 C22 H22 122(5) . .
C24 C23 C28 120.1(4) . .
C24 C23 Se2 116.3(3) . .
C28 C23 Se2 123.6(3) . .
C25 C24 C23 119.8(5) . .
C25 C24 H24 121(6) . .
C23 C24 H24 119(6) . .
C24 C25 C26 121.8(5) . .
C24 C25 H25 116(5) . .
C26 C25 H25 122(5) . .
C25 C26 C27 117.8(5) . .
C25 C26 H26 122(3) . .
C27 C26 H26 118(3) . .
C28 C27 C26 120.8(5) . .
C28 C27 H27 121(5) . .
C26 C27 H27 118(5) . .
C27 C28 C23 119.8(4) . .
C27 C28 H28 118(5) . .
C23 C28 H28 122(5) . .
C222 C111 H11A 109.5 . .
C222 C111 H11B 109.5 . .
H11A C111 H11B 109.5 . .
C222 C111 H11C 109.5 . .
H11A C111 H11C 109.5 . .
H11B C111 H11C 109.5 . .
O111 C222 C111 120.6(7) . .
O111 C222 C333 121.5(6) . .
C111 C222 C333 117.9(6) . .
C222 C333 H33A 109.5 . .
C222 C333 H33B 109.5 . .
H33A C333 H33B 109.5 . .
C222 C333 H33C 109.5 . .
H33A C333 H33C 109.5 . .
H33B C333 H33C 109.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 C2 1.887(5) .
Re1 C1 1.900(4) .
Re1 C3 1.922(4) .
Re1 N1 2.220(3) .
Re1 Se1 2.6121(6) .
Re1 Se1 2.6307(7) 2_755
Re2 C6 1.890(5) .
Re2 C5 1.896(5) .
Re2 C4 1.897(4) .
Re2 N2 2.220(3) .
Re2 Se2 2.6198(6) 2_755
Re2 Se2 2.6298(6) .
Se1 C17 1.921(4) .
Se1 Re1 2.6307(7) 2_755
Se2 C23 1.920(4) .
Se2 Re2 2.6198(6) 2_755
O1 C1 1.160(5) .
O2 C2 1.150(5) .
O3 C3 1.140(5) .
O4 C4 1.151(5) .
O5 C5 1.168(5) .
O6 C6 1.161(5) .
N1 C11 1.340(5) .
N1 C7 1.348(5) .
N2 C16 1.338(5) .
N2 C12 1.340(5) .
C7 C8 1.362(6) .
C7 H7 0.96(6) .
C8 C9 1.383(5) .
C8 H8 0.98(6) .
C9 C10 1.389(5) .
C9 C14 1.475(5) .
C10 C11 1.371(6) .
C10 H10 0.94(6) .
C11 H11 0.88(6) .
C12 C13 1.371(6) .
C12 H12 0.89(6) .
C13 C14 1.381(6) .
C13 H13 0.87(7) .
C14 C15 1.386(6) .
C15 C16 1.370(6) .
C15 H15 0.89(6) .
C16 H16 0.91(6) .
C17 C22 1.368(6) .
C17 C18 1.375(6) .
C18 C19 1.383(7) .
C18 H18 0.76(6) .
C19 C20 1.365(7) .
C19 H19 1.00(6) .
C20 C21 1.376(6) .
C20 H20 0.90(7) .
C21 C22 1.380(6) .
C21 H21 0.90(6) .
C22 H22 0.75(6) .
C23 C24 1.361(6) .
C23 C28 1.373(6) .
C24 C25 1.358(7) .
C24 H24 0.77(6) .
C25 C26 1.378(8) .
C25 H25 0.77(6) .
C26 C27 1.378(7) .
C26 H26 1.07(6) .
C27 C28 1.372(7) .
C27 H27 0.78(6) .
C28 H28 0.85(6) .
C111 C222 1.485(8) .
C111 H11A 0.9800 .
C111 H11B 0.9800 .
C111 H11C 0.9800 .
C222 O111 1.223(7) .
C222 C333 1.501(9) .
C333 H33A 0.9800 .
C333 H33B 0.9800 .
C333 H33C 0.9800 .
loop_
_geom_torsion_atom_site_label_1
_geom_torsion_atom_site_label_2
_geom_torsion_atom_site_label_3
_geom_torsion_atom_site_label_4
_geom_torsion
_geom_torsion_site_symmetry_1
_geom_torsion_site_symmetry_4
C2 Re1 Se1 C17 167.7(8) . .
C1 Re1 Se1 C17 -62.69(17) . .
C3 Re1 Se1 C17 30.00(16) . .
N1 Re1 Se1 C17 -151.97(14) . .
Se1 Re1 Se1 C17 119.43(12) 2_755 .
C2 Re1 Se1 Re1 52.0(8) . 2_755
C1 Re1 Se1 Re1 -178.40(13) . 2_755
C3 Re1 Se1 Re1 -85.70(11) . 2_755
N1 Re1 Se1 Re1 92.33(8) . 2_755
Se1 Re1 Se1 Re1 3.733(18) 2_755 2_755
C6 Re2 Se2 C23 -148.9(12) . .
C5 Re2 Se2 C23 -32.12(18) . .
C4 Re2 Se2 C23 55.96(18) . .
N2 Re2 Se2 C23 146.75(15) . .
Se2 Re2 Se2 C23 -130.40(13) 2_755 .
C6 Re2 Se2 Re2 -29.7(11) . 2_755
C5 Re2 Se2 Re2 87.06(12) . 2_755
C4 Re2 Se2 Re2 175.14(13) . 2_755
N2 Re2 Se2 Re2 -94.07(8) . 2_755
Se2 Re2 Se2 Re2 -11.220(18) 2_755 2_755
C2 Re1 N1 C11 44.6(3) . .
C1 Re1 N1 C11 132.9(3) . .
C3 Re1 N1 C11 -97(2) . .
Se1 Re1 N1 C11 -129.8(3) . .
Se1 Re1 N1 C11 -49.2(3) 2_755 .
C2 Re1 N1 C7 -130.4(3) . .
C1 Re1 N1 C7 -42.1(3) . .
C3 Re1 N1 C7 88(2) . .
Se1 Re1 N1 C7 55.2(3) . .
Se1 Re1 N1 C7 135.8(3) 2_755 .
C6 Re2 N2 C16 142.6(3) . .
C5 Re2 N2 C16 -20(3) . .
C4 Re2 N2 C16 52.5(3) . .
Se2 Re2 N2 C16 -123.6(3) 2_755 .
Se2 Re2 N2 C16 -43.1(3) . .
C6 Re2 N2 C12 -35.9(3) . .
C5 Re2 N2 C12 161(3) . .
C4 Re2 N2 C12 -126.1(3) . .
Se2 Re2 N2 C12 57.8(3) 2_755 .
Se2 Re2 N2 C12 138.3(3) . .
C2 Re1 C1 O1 41(100) . .
C3 Re1 C1 O1 131(100) . .
N1 Re1 C1 O1 -51(100) . .
Se1 Re1 C1 O1 -132(100) . .
Se1 Re1 C1 O1 -91(100) 2_755 .
C1 Re1 C2 O2 -91(26) . .
C3 Re1 C2 O2 177(100) . .
N1 Re1 C2 O2 0(26) . .
Se1 Re1 C2 O2 39(27) . .
Se1 Re1 C2 O2 87(26) 2_755 .
C2 Re1 C3 O3 2(18) . .
C1 Re1 C3 O3 -87(18) . .
N1 Re1 C3 O3 144(17) . .
Se1 Re1 C3 O3 176(100) . .
Se1 Re1 C3 O3 96(18) 2_755 .
C6 Re2 C4 O4 18(12) . .
C5 Re2 C4 O4 -72(12) . .
N2 Re2 C4 O4 111(12) . .
Se2 Re2 C4 O4 141(11) 2_755 .
Se2 Re2 C4 O4 -165(12) . .
C6 Re2 C5 O5 -99(9) . .
C4 Re2 C5 O5 -9(9) . .
N2 Re2 C5 O5 64(10) . .
Se2 Re2 C5 O5 166(9) 2_755 .
Se2 Re2 C5 O5 86(9) . .
C5 Re2 C6 O6 -108(11) . .
C4 Re2 C6 O6 164(11) . .
N2 Re2 C6 O6 72(11) . .
Se2 Re2 C6 O6 -10(11) 2_755 .
Se2 Re2 C6 O6 8(12) . .
C11 N1 C7 C8 0.1(6) . .
Re1 N1 C7 C8 175.4(3) . .
N1 C7 C8 C9 -1.3(6) . .
C7 C8 C9 C10 1.7(6) . .
C7 C8 C9 C14 -178.3(4) . .
C8 C9 C10 C11 -0.9(6) . .
C14 C9 C10 C11 179.1(4) . .
C7 N1 C11 C10 0.7(6) . .
Re1 N1 C11 C10 -174.5(3) . .
C9 C10 C11 N1 -0.3(6) . .
C16 N2 C12 C13 2.5(6) . .
Re2 N2 C12 C13 -178.8(3) . .
N2 C12 C13 C14 -0.9(6) . .
C12 C13 C14 C15 -1.2(6) . .
C12 C13 C14 C9 179.9(4) . .
C8 C9 C14 C13 142.4(4) . .
C10 C9 C14 C13 -37.5(5) . .
C8 C9 C14 C15 -36.5(6) . .
C10 C9 C14 C15 143.5(4) . .
C13 C14 C15 C16 1.4(6) . .
C9 C14 C15 C16 -179.6(3) . .
C12 N2 C16 C15 -2.3(6) . .
Re2 N2 C16 C15 179.1(3) . .
C14 C15 C16 N2 0.3(6) . .
Re1 Se1 C17 C22 -159.2(3) . .
Re1 Se1 C17 C22 -50.1(4) 2_755 .
Re1 Se1 C17 C18 26.2(4) . .
Re1 Se1 C17 C18 135.3(4) 2_755 .
C22 C17 C18 C19 0.9(8) . .
Se1 C17 C18 C19 175.5(4) . .
C17 C18 C19 C20 0.7(9) . .
C18 C19 C20 C21 -1.6(9) . .
C19 C20 C21 C22 0.9(8) . .
C18 C17 C22 C21 -1.5(7) . .
Se1 C17 C22 C21 -176.2(4) . .
C20 C21 C22 C17 0.6(8) . .
Re2 Se2 C23 C24 155.3(3) 2_755 .
Re2 Se2 C23 C24 -97.1(3) . .
Re2 Se2 C23 C28 -25.7(4) 2_755 .
Re2 Se2 C23 C28 81.9(4) . .
C28 C23 C24 C25 -0.4(7) . .
Se2 C23 C24 C25 178.6(4) . .
C23 C24 C25 C26 0.4(9) . .
C24 C25 C26 C27 -0.3(9) . .
C25 C26 C27 C28 0.2(8) . .
C26 C27 C28 C23 -0.2(7) . .
C24 C23 C28 C27 0.4(7) . .
Se2 C23 C28 C27 -178.6(4) . .
