#------------------------------------------------------------------------------
#$Date: 2016-03-21 14:14:30 +0200 (Mon, 21 Mar 2016) $
#$Revision: 178712 $
#$URL: svn://www.crystallography.net/cod/cif/4/08/23/4082348.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_4082348
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_moiety         'C30 H22 N2 O6 Re2 Se2, 2(C2 H4 Cl2)'
_chemical_formula_sum            'C35 H32 Cl5 N2 O6 Re2 Se2'
_chemical_formula_weight         1284.20
_chemical_name_systematic
;
 ?
;
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_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_date             2013-07-01
_audit_creation_method
;
  Olex2 1.2
  (compiled Apr  9 2013 14:06:00, GUI svn.r4458)
;
_cell_angle_alpha                90.00
_cell_angle_beta                 107.078(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   13.1194(3)
_cell_length_b                   20.1363(5)
_cell_length_c                   15.8113(4)
_cell_measurement_reflns_used    19896
_cell_measurement_temperature    150(2)
_cell_measurement_theta_max      32.4172
_cell_measurement_theta_min      3.1189
_cell_volume                     3992.79(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
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_publication_material
;
O. V. Dolomanov, L. J. Bourhis, R. J. Gildea, J. A. K. Howard and H. Puschmann,
OLEX2: a complete structure solution, refinement and analysis program.
J. Appl. Cryst. (2009). 42, 339-341.
;
_computing_structure_refinement
;
SHELXL, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_computing_structure_solution
;
SHELXS, G.M. Sheldrick, Acta Cryst.
(2008). A64, 112-122
;
_diffrn_ambient_temperature      150(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0252
_diffrn_reflns_av_unetI/netI     0.0244
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       23
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            23464
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.14
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    8.262
_exptl_absorpt_correction_T_max  0.1839
_exptl_absorpt_correction_T_min  0.1367
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
CrysAlis RED, Oxford Diffraction Ltd.,
Version 1.171.29.9 (release 23-03-2006 CrysAlis171 .NET)
(compiled Mar 23 2006,23:39:28)
Empirical absorption correction using spherical harmonics,
 implemented in SCALE3 ABSPACK scaling algorithm.
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.136
_exptl_crystal_density_method    'not measured'
_exptl_crystal_F_000             2428
_exptl_crystal_size_max          0.4
_exptl_crystal_size_mid          0.33
_exptl_crystal_size_min          0.31
_platon_squeeze_details
;
;
_refine_diff_density_max         2.034
_refine_diff_density_min         -0.840
_refine_diff_density_rms         0.118
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.045
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     451
_refine_ls_number_reflns         7018
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.045
_refine_ls_R_factor_all          0.0276
_refine_ls_R_factor_gt           0.0216
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0234P)²+8.4209P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0471
_refine_ls_wR_factor_ref         0.0499
_reflns_number_gt                6102
_reflns_number_total             7018
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om400673f_si_002.cif
_cod_data_source_block           1b
_cod_depositor_comments
;
The following automatic conversions were performed:
'__audit_creation_date' tag replaced with '_audit_creation_date'.

Automatic conversion script
Id: cif_correct_tags 1440 2010-10-19 06:21:57Z saulius 
;
_cod_database_code               4082348
loop_
_space_group_symop_id
_space_group_symop_operation_xyz
1 'x, y, z'
2 '-x+1/2, y+1/2, -z+1/2'
3 '-x, -y, -z'
4 '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 0.786909(13) 0.761829(8) 0.397510(11) 0.01086(5) Uani 1 1 d .
Re2 Re 0.554881(13) 0.628630(8) 0.333917(11) 0.01056(5) Uani 1 1 d .
Se1 Se 0.65995(3) 0.69928(2) 0.47099(3) 0.01220(9) Uani 1 1 d .
Se2 Se 0.70104(3) 0.67823(2) 0.26742(3) 0.01237(9) Uani 1 1 d .
Cl1 Cl 0.93922(11) 0.53887(7) 0.23055(9) 0.0347(3) Uani 1 1 d .
Cl2 Cl 0.86346(14) 0.57619(8) -0.04777(9) 0.0499(4) Uani 1 1 d .
Cl3 Cl 0.55488(10) 0.57594(6) 0.63937(8) 0.0301(3) Uani 1 1 d .
Cl4 Cl 0.82969(11) 0.57012(7) 0.71855(9) 0.0361(3) Uani 1 1 d .
O1 O 0.9439(3) 0.82872(18) 0.3141(2) 0.0312(8) Uani 1 1 d .
O2 O 0.6265(3) 0.87135(16) 0.3175(2) 0.0283(8) Uani 1 1 d .
O3 O 0.8847(3) 0.84549(16) 0.5631(2) 0.0265(8) Uani 1 1 d .
O4 O 0.3966(3) 0.57952(16) 0.4288(2) 0.0249(8) Uani 1 1 d .
O5 O 0.4025(3) 0.74278(16) 0.2538(2) 0.0286(8) Uani 1 1 d .
O6 O 0.4449(2) 0.53636(15) 0.1801(2) 0.0215(7) Uani 1 1 d .
N1 N 0.9016(3) 0.68010(17) 0.4491(2) 0.0121(7) Uani 1 1 d .
N2 N 0.6760(3) 0.55103(16) 0.3862(2) 0.0121(7) Uani 1 1 d .
C1 C 0.8845(4) 0.8023(2) 0.3443(3) 0.0186(10) Uani 1 1 d .
C2 C 0.6860(4) 0.8296(2) 0.3487(3) 0.0162(9) Uani 1 1 d .
C3 C 0.8469(3) 0.8142(2) 0.5014(3) 0.0181(10) Uani 1 1 d .
C4 C 0.4575(4) 0.5968(2) 0.3937(3) 0.0161(9) Uani 1 1 d .
C5 C 0.4591(3) 0.6997(2) 0.2847(3) 0.0168(10) Uani 1 1 d .
C6 C 0.4863(3) 0.5719(2) 0.2360(3) 0.0140(9) Uani 1 1 d .
C7 C 0.9612(3) 0.6575(2) 0.3990(3) 0.0179(10) Uani 1 1 d .
H7 H 0.9457 0.6723 0.3409 0.021 Uiso 1 1 calc R
C8 C 1.0446(4) 0.6131(2) 0.4298(3) 0.0170(10) Uani 1 1 d .
H8 H 1.0840 0.5993 0.3927 0.020 Uiso 1 1 calc R
C9 C 1.0695(3) 0.5892(2) 0.5157(3) 0.0129(9) Uani 1 1 d .
C10 C 1.0053(3) 0.6114(2) 0.5660(3) 0.0128(9) Uani 1 1 d .
H10 H 1.0172 0.5959 0.6235 0.015 Uiso 1 1 calc R
C11 C 0.9253(3) 0.6558(2) 0.5319(3) 0.0147(9) Uani 1 1 d .
H11 H 0.8848 0.6700 0.5679 0.018 Uiso 1 1 calc R
C12 C 0.7200(3) 0.5175(2) 0.3315(3) 0.0161(9) Uani 1 1 d .
H12 H 0.6947 0.5264 0.2712 0.019 Uiso 1 1 calc R
C13 C 0.7998(3) 0.4712(2) 0.3595(3) 0.0157(9) Uani 1 1 d .
H13 H 0.8260 0.4491 0.3187 0.019 Uiso 1 1 calc R
C14 C 0.8412(3) 0.4578(2) 0.4500(3) 0.0117(9) Uani 1 1 d .
C15 C 0.7942(3) 0.4911(2) 0.5063(3) 0.0156(9) Uani 1 1 d .
H15 H 0.8177 0.4829 0.5669 0.019 Uiso 1 1 calc R
C16 C 0.7140(3) 0.5356(2) 0.4733(3) 0.0154(9) Uani 1 1 d .
H16 H 0.6837 0.5564 0.5126 0.018 Uiso 1 1 calc R
C17 C 0.5534(3) 0.7657(2) 0.4880(3) 0.0177(10) Uani 1 1 d .
H17A H 0.5362 0.7969 0.4391 0.021 Uiso 1 1 calc R
H17B H 0.4883 0.7429 0.4881 0.021 Uiso 1 1 calc R
C18 C 0.5959(3) 0.8020(2) 0.5719(3) 0.0189(10) Uani 1 1 d .
C19 C 0.5836(4) 0.7760(2) 0.6505(3) 0.0256(11) Uani 1 1 d .
H19 H 0.5473 0.7362 0.6495 0.031 Uiso 1 1 calc R
C20 C 0.6254(4) 0.8094(3) 0.7296(3) 0.0320(13) Uani 1 1 d .
H20 H 0.6174 0.7918 0.7816 0.038 Uiso 1 1 calc R
C21 C 0.6785(4) 0.8685(3) 0.7316(4) 0.0367(14) Uani 1 1 d .
H21 H 0.7074 0.8903 0.7851 0.044 Uiso 1 1 calc R
C22 C 0.6893(4) 0.8956(3) 0.6545(4) 0.0330(13) Uani 1 1 d .
H22 H 0.7243 0.9359 0.6558 0.040 Uiso 1 1 calc R
C23 C 0.6475(4) 0.8622(2) 0.5748(3) 0.0243(11) Uani 1 1 d .
H23 H 0.6545 0.8805 0.5228 0.029 Uiso 1 1 calc R
C24 C 0.6159(4) 0.7330(2) 0.1661(3) 0.0182(10) Uani 1 1 d .
H24A H 0.5493 0.7104 0.1378 0.022 Uiso 1 1 calc R
H24B H 0.5989 0.7752 0.1883 0.022 Uiso 1 1 calc R
C25 C 0.6734(3) 0.7454(2) 0.0993(3) 0.0163(9) Uani 1 1 d .
C26 C 0.7511(4) 0.7942(2) 0.1109(3) 0.0201(10) Uani 1 1 d .
H26 H 0.7707 0.8185 0.1633 0.024 Uiso 1 1 calc R
C27 C 0.8000(4) 0.8074(3) 0.0459(3) 0.0269(12) Uani 1 1 d .
H27 H 0.8517 0.8403 0.0546 0.032 Uiso 1 1 calc R
C28 C 0.7712(4) 0.7714(3) -0.0316(3) 0.0311(13) Uani 1 1 d .
H28 H 0.8034 0.7802 -0.0756 0.037 Uiso 1 1 calc R
C29 C 0.6952(4) 0.7226(3) -0.0442(3) 0.0290(12) Uani 1 1 d .
H29 H 0.6762 0.6983 -0.0965 0.035 Uiso 1 1 calc R
C30 C 0.6467(4) 0.7097(2) 0.0212(3) 0.0207(10) Uani 1 1 d .
H30 H 0.5953 0.6765 0.0123 0.025 Uiso 1 1 calc R
C31 C 0.9300(4) 0.5281(2) 0.1160(3) 0.0282(12) Uani 1 1 d .
H31A H 1.0008 0.5241 0.1090 0.034 Uiso 1 1 calc R
H31B H 0.8903 0.4881 0.0933 0.034 Uiso 1 1 calc R
C32 C 0.8747(4) 0.5871(2) 0.0668(3) 0.0299(12) Uani 1 1 d .
H32A H 0.9150 0.6270 0.0890 0.036 Uiso 1 1 calc R
H32B H 0.8044 0.5914 0.0746 0.036 Uiso 1 1 calc R
C33 C 0.6395(4) 0.6065(2) 0.7413(3) 0.0234(11) Uani 1 1 d .
H33A H 0.6024 0.6410 0.7633 0.028 Uiso 1 1 calc R
H33B H 0.6553 0.5707 0.7843 0.028 Uiso 1 1 calc R
C34 C 0.7417(4) 0.6339(2) 0.7322(3) 0.0237(11) Uani 1 1 d .
H34A H 0.7766 0.6597 0.7845 0.028 Uiso 1 1 calc R
H34B H 0.7261 0.6635 0.6815 0.028 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
Se1 Re1 Se2 81.804(13) .
N1 Re1 Se1 86.05(9) .
N1 Re1 Se2 84.35(9) .
C1 Re1 Se1 176.33(13) .
C1 Re1 Se2 96.70(13) .
C1 Re1 N1 90.47(16) .
C1 Re1 C3 89.03(19) .
C2 Re1 Se1 93.87(13) .
C2 Re1 Se2 93.11(12) .
C2 Re1 N1 177.45(15) .
C2 Re1 C1 89.55(19) .
C2 Re1 C3 90.86(17) .
C3 Re1 Se1 92.24(14) .
C3 Re1 Se2 173.05(13) .
C3 Re1 N1 91.69(15) .
Se1 Re2 Se2 81.763(13) .
N2 Re2 Se1 85.90(9) .
N2 Re2 Se2 83.67(9) .
C4 Re2 Se1 92.21(13) .
C4 Re2 Se2 173.92(13) .
C4 Re2 N2 95.14(15) .
C4 Re2 C5 89.86(18) .
C4 Re2 C6 88.65(17) .
C5 Re2 Se1 93.06(13) .
C5 Re2 Se2 91.26(13) .
C5 Re2 N2 174.92(16) .
C5 Re2 C6 91.18(18) .
C6 Re2 Se1 175.67(12) .
C6 Re2 Se2 97.30(12) .
C6 Re2 N2 89.80(15) .
Re1 Se1 Re2 98.218(14) .
C17 Se1 Re1 107.33(13) .
C17 Se1 Re2 104.73(13) .
Re2 Se2 Re1 97.159(14) .
C24 Se2 Re1 106.47(13) .
C24 Se2 Re2 103.18(13) .
C7 N1 Re1 118.9(3) .
C7 N1 C11 116.2(4) .
C11 N1 Re1 124.5(3) .
C12 N2 Re2 120.5(3) .
C12 N2 C16 115.9(4) .
C16 N2 Re2 123.5(3) .
O1 C1 Re1 177.5(4) .
O2 C2 Re1 178.0(4) .
O3 C3 Re1 178.6(4) .
O4 C4 Re2 177.6(4) .
O5 C5 Re2 178.6(4) .
O6 C6 Re2 177.3(4) .
N1 C7 H7 118.4 .
N1 C7 C8 123.2(4) .
C8 C7 H7 118.4 .
C7 C8 H8 119.9 .
C7 C8 C9 120.2(4) .
C9 C8 H8 119.9 .
C8 C9 C10 116.2(4) .
C8 C9 C14 121.0(4) 3_766
C10 C9 C14 122.8(4) 3_766
C9 C10 H10 119.7 .
C11 C10 C9 120.6(4) .
C11 C10 H10 119.7 .
N1 C11 C10 123.7(4) .
N1 C11 H11 118.2 .
C10 C11 H11 118.2 .
N2 C12 H12 118.0 .
N2 C12 C13 124.0(4) .
C13 C12 H12 118.0 .
C12 C13 H13 120.3 .
C12 C13 C14 119.5(4) .
C14 C13 H13 120.3 .
C13 C14 C9 121.8(4) 3_766
C15 C14 C9 121.6(4) 3_766
C15 C14 C13 116.6(4) .
C14 C15 H15 119.8 .
C16 C15 C14 120.5(4) .
C16 C15 H15 119.8 .
N2 C16 C15 123.5(4) .
N2 C16 H16 118.2 .
C15 C16 H16 118.2 .
Se1 C17 H17A 109.5 .
Se1 C17 H17B 109.5 .
H17A C17 H17B 108.0 .
C18 C17 Se1 110.9(3) .
C18 C17 H17A 109.5 .
C18 C17 H17B 109.5 .
C19 C18 C17 120.1(4) .
C23 C18 C17 121.1(4) .
C23 C18 C19 118.8(4) .
C18 C19 H19 119.9 .
C20 C19 C18 120.1(5) .
C20 C19 H19 119.9 .
C19 C20 H20 119.8 .
C21 C20 C19 120.4(5) .
C21 C20 H20 119.8 .
C20 C21 H21 119.9 .
C20 C21 C22 120.3(5) .
C22 C21 H21 119.9 .
C21 C22 H22 120.2 .
C21 C22 C23 119.6(5) .
C23 C22 H22 120.2 .
C18 C23 C22 120.8(5) .
C18 C23 H23 119.6 .
C22 C23 H23 119.6 .
Se2 C24 H24A 109.1 .
Se2 C24 H24B 109.1 .
H24A C24 H24B 107.8 .
C25 C24 Se2 112.4(3) .
C25 C24 H24A 109.1 .
C25 C24 H24B 109.1 .
C26 C25 C24 122.1(4) .
C30 C25 C24 119.9(4) .
C30 C25 C26 118.0(4) .
C25 C26 H26 119.4 .
C25 C26 C27 121.2(4) .
C27 C26 H26 119.4 .
C26 C27 H27 120.2 .
C28 C27 C26 119.5(5) .
C28 C27 H27 120.2 .
C27 C28 H28 119.9 .
C29 C28 C27 120.2(5) .
C29 C28 H28 119.9 .
C28 C29 H29 120.0 .
C28 C29 C30 119.9(5) .
C30 C29 H29 120.0 .
C25 C30 C29 121.1(5) .
C25 C30 H30 119.4 .
C29 C30 H30 119.4 .
Cl1 C31 H31A 110.1 .
Cl1 C31 H31B 110.1 .
H31A C31 H31B 108.4 .
C32 C31 Cl1 108.1(3) .
C32 C31 H31A 110.1 .
C32 C31 H31B 110.1 .
Cl2 C32 H32A 110.0 .
Cl2 C32 H32B 110.0 .
C31 C32 Cl2 108.4(3) .
C31 C32 H32A 110.0 .
C31 C32 H32B 110.0 .
H32A C32 H32B 108.4 .
Cl3 C33 H33A 109.1 .
Cl3 C33 H33B 109.1 .
H33A C33 H33B 107.9 .
C34 C33 Cl3 112.3(3) .
C34 C33 H33A 109.1 .
C34 C33 H33B 109.1 .
Cl4 C34 H34A 109.2 .
Cl4 C34 H34B 109.2 .
C33 C34 Cl4 112.1(3) .
C33 C34 H34A 109.2 .
C33 C34 H34B 109.2 .
H34A C34 H34B 107.9 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 Se1 2.6166(4) .
Re1 Se2 2.6406(4) .
Re1 N1 2.217(3) .
Re1 C1 1.908(5) .
Re1 C2 1.900(5) .
Re1 C3 1.915(5) .
Re2 Se1 2.6204(4) .
Re2 Se2 2.6389(4) .
Re2 N2 2.209(3) .
Re2 C4 1.909(5) .
Re2 C5 1.913(5) .
Re2 C6 1.922(5) .
Se1 C17 2.009(4) .
Se2 C24 1.994(4) .
Cl1 C31 1.793(5) .
Cl2 C32 1.787(5) .
Cl3 C33 1.776(5) .
Cl4 C34 1.782(5) .
O1 C1 1.158(5) .
O2 C2 1.155(5) .
O3 C3 1.145(5) .
O4 C4 1.153(5) .
O5 C5 1.153(5) .
O6 C6 1.143(5) .
N1 C7 1.346(5) .
N1 C11 1.346(5) .
N2 C12 1.353(5) .
N2 C16 1.355(5) .
C7 H7 0.9300 .
C7 C8 1.385(6) .
C8 H8 0.9300 .
C8 C9 1.386(6) .
C9 C10 1.392(6) .
C9 C14 1.479(6) 3_766
C10 H10 0.9300 .
C10 C11 1.363(6) .
C11 H11 0.9300 .
C12 H12 0.9300 .
C12 C13 1.374(6) .
C13 H13 0.9300 .
C13 C14 1.400(6) .
C14 C9 1.479(6) 3_766
C14 C15 1.396(6) .
C15 H15 0.9300 .
C15 C16 1.364(6) .
C16 H16 0.9300 .
C17 H17A 0.9700 .
C17 H17B 0.9700 .
C17 C18 1.474(6) .
C18 C19 1.400(7) .
C18 C23 1.383(7) .
C19 H19 0.9300 .
C19 C20 1.383(7) .
C20 H20 0.9300 .
C20 C21 1.375(8) .
C21 H21 0.9300 .
C21 C22 1.380(8) .
C22 H22 0.9300 .
C22 C23 1.391(7) .
C23 H23 0.9300 .
C24 H24A 0.9700 .
C24 H24B 0.9700 .
C24 C25 1.489(6) .
C25 C26 1.388(6) .
C25 C30 1.383(6) .
C26 H26 0.9300 .
C26 C27 1.388(7) .
C27 H27 0.9300 .
C27 C28 1.378(7) .
C28 H28 0.9300 .
C28 C29 1.372(7) .
C29 H29 0.9300 .
C29 C30 1.389(7) .
C30 H30 0.9300 .
C31 H31A 0.9700 .
C31 H31B 0.9700 .
C31 C32 1.486(7) .
C32 H32A 0.9700 .
C32 H32B 0.9700 .
C33 H33A 0.9700 .
C33 H33B 0.9700 .
C33 C34 1.495(6) .
C34 H34A 0.9700 .
C34 H34B 0.9700 .
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
Re1 Se1 C17 C18 -85.7(3) . .
Re1 Se2 C24 C25 99.6(3) . .
Re1 N1 C7 C8 171.1(3) . .
Re1 N1 C11 C10 -171.5(3) . .
Re2 Se1 C17 C18 170.6(3) . .
Re2 Se2 C24 C25 -158.7(3) . .
Re2 N2 C12 C13 176.3(3) . .
Re2 N2 C16 C15 -175.1(3) . .
Se1 Re1 Se2 Re2 7.768(13) . .
Se1 Re1 Se2 C24 113.83(14) . .
Se1 Re1 N1 C7 141.9(3) . .
Se1 Re1 N1 C11 -45.9(3) . .
Se1 Re1 C1 O1 -135(8) . .
Se1 Re1 C2 O2 -167(11) . .
Se1 Re1 C3 O3 148(16) . .
Se1 Re2 Se2 Re1 -7.757(13) . .
Se1 Re2 Se2 C24 -116.59(14) . .
Se1 Re2 N2 C12 -135.9(3) . .
Se1 Re2 N2 C16 41.5(3) . .
Se1 Re2 C4 O4 87(10) . .
Se1 Re2 C5 O5 103(17) . .
Se1 Re2 C6 O6 67(9) . .
Se1 C17 C18 C19 -86.9(4) . .
Se1 C17 C18 C23 93.6(4) . .
Se2 Re1 Se1 Re2 -7.843(13) . .
Se2 Re1 Se1 C17 -116.15(13) . .
Se2 Re1 N1 C7 59.8(3) . .
Se2 Re1 N1 C11 -128.0(3) . .
Se2 Re1 C1 O1 160(9) . .
Se2 Re1 C2 O2 -85(11) . .
Se2 Re1 C3 O3 117(16) . .
Se2 Re2 Se1 Re1 7.849(13) . .
Se2 Re2 Se1 C17 118.28(14) . .
Se2 Re2 N2 C12 -53.7(3) . .
Se2 Re2 N2 C16 123.7(3) . .
Se2 Re2 C4 O4 95(10) . .
Se2 Re2 C5 O5 22(17) . .
Se2 Re2 C6 O6 144(8) . .
Se2 C24 C25 C26 -80.1(5) . .
Se2 C24 C25 C30 102.7(4) . .
Cl1 C31 C32 Cl2 -179.2(3) . .
Cl3 C33 C34 Cl4 -73.2(4) . .
N1 Re1 Se1 Re2 -92.70(9) . .
N1 Re1 Se1 C17 159.00(16) . .
N1 Re1 Se2 Re2 94.57(9) . .
N1 Re1 Se2 C24 -159.36(16) . .
N1 Re1 C1 O1 -116(9) . .
N1 Re1 C2 O2 -79(12) . .
N1 Re1 C3 O3 61(16) . .
N1 C7 C8 C9 0.7(7) . .
N2 Re2 Se1 Re1 92.04(9) . .
N2 Re2 Se1 C17 -157.53(16) . .
N2 Re2 Se2 Re1 -94.51(9) . .
N2 Re2 Se2 C24 156.65(16) . .
N2 Re2 C4 O4 173(10) . .
N2 Re2 C5 O5 25(18) . .
N2 Re2 C6 O6 60(8) . .
N2 C12 C13 C14 -1.3(7) . .
C1 Re1 Se1 Re2 -74(2) . .
C1 Re1 Se1 C17 178(16) . .
C1 Re1 Se2 Re2 -175.62(13) . .
C1 Re1 Se2 C24 -69.55(19) . .
C1 Re1 N1 C7 -36.9(3) . .
C1 Re1 N1 C11 135.3(3) . .
C1 Re1 C2 O2 12(11) . .
C1 Re1 C3 O3 -29(16) . .
C2 Re1 Se1 Re2 84.75(12) . .
C2 Re1 Se1 C17 -23.56(18) . .
C2 Re1 Se2 Re2 -85.70(13) . .
C2 Re1 Se2 C24 20.37(19) . .
C2 Re1 N1 C7 54(4) . .
C2 Re1 N1 C11 -134(4) . .
C2 Re1 C1 O1 67(9) . .
C2 Re1 C3 O3 -118(16) . .
C3 Re1 Se1 Re2 175.76(13) . .
C3 Re1 Se1 C17 67.46(18) . .
C3 Re1 Se2 Re2 39.0(11) . .
C3 Re1 Se2 C24 145.1(11) . .
C3 Re1 N1 C7 -125.9(3) . .
C3 Re1 N1 C11 46.3(4) . .
C3 Re1 C1 O1 -24(9) . .
C3 Re1 C2 O2 101(11) . .
C4 Re2 Se1 Re1 -172.97(13) . .
C4 Re2 Se1 C17 -62.54(18) . .
C4 Re2 Se2 Re1 -15.5(12) . .
C4 Re2 Se2 C24 -124.3(12) . .
C4 Re2 N2 C12 132.3(3) . .
C4 Re2 N2 C16 -50.3(3) . .
C4 Re2 C5 O5 -164(17) . .
C4 Re2 C6 O6 -35(8) . .
C5 Re2 Se1 Re1 -82.99(13) . .
C5 Re2 Se1 C17 27.44(19) . .
C5 Re2 Se2 Re1 85.15(13) . .
C5 Re2 Se2 C24 -23.68(19) . .
C5 Re2 N2 C12 -57.5(19) . .
C5 Re2 N2 C16 119.9(17) . .
C5 Re2 C4 O4 -6(10) . .
C5 Re2 C6 O6 -125(8) . .
C6 Re2 Se1 Re1 85.6(16) . .
C6 Re2 Se1 C17 -163.9(16) . .
C6 Re2 Se2 Re1 176.51(12) . .
C6 Re2 Se2 C24 67.67(18) . .
C6 Re2 N2 C12 43.6(3) . .
C6 Re2 N2 C16 -139.0(3) . .
C6 Re2 C4 O4 -97(10) . .
C6 Re2 C5 O5 -76(17) . .
C7 N1 C11 C10 0.9(6) . .
C7 C8 C9 C10 1.1(6) . .
C7 C8 C9 C14 -179.4(4) . 3_766
C8 C9 C10 C11 -1.9(6) . .
C9 C10 C11 N1 1.0(7) . .
C9 C14 C15 C16 178.1(4) 3_766 .
C11 N1 C7 C8 -1.7(6) . .
C12 N2 C16 C15 2.4(6) . .
C12 C13 C14 C9 -177.0(4) . 3_766
C12 C13 C14 C15 2.7(6) . .
C13 C14 C15 C16 -1.7(6) . .
C14 C9 C10 C11 178.7(4) 3_766 .
C14 C15 C16 N2 -0.9(7) . .
C16 N2 C12 C13 -1.3(6) . .
C17 C18 C19 C20 178.7(4) . .
C17 C18 C23 C22 -178.7(4) . .
C18 C19 C20 C21 0.4(7) . .
C19 C18 C23 C22 1.7(7) . .
C19 C20 C21 C22 1.0(8) . .
C20 C21 C22 C23 -1.1(8) . .
C21 C22 C23 C18 -0.3(7) . .
C23 C18 C19 C20 -1.8(7) . .
C24 C25 C26 C27 -176.6(4) . .
C24 C25 C30 C29 176.7(4) . .
C25 C26 C27 C28 -0.2(7) . .
C26 C25 C30 C29 -0.6(7) . .
C26 C27 C28 C29 -0.3(7) . .
C27 C28 C29 C30 0.3(8) . .
C28 C29 C30 C25 0.1(7) . .
C30 C25 C26 C27 0.6(7) . .
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 1.000 0.500 136 41 ' '
2 0.500 0.500 0.000 136 41 ' '
