#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/29/7002954.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_7002954
loop_
_publ_author_name
'Li, Hong-Yan'
'Wu, Jing'
'Zhou, Xin-Hui'
'Kang, Ling-Chen'
'Li, Dong-Ping'
'Sui, Yan'
'Zhou, Yong-Hui'
'Zheng, You-Xuan'
'Zuo, Jing-Lin'
'You, Xiao-Zeng'
_publ_section_title
;
 Synthesis, structural characterization and photoluminescence
 properties of rhenium(I) complexes based on bipyridine derivatives
 with carbazole moieties
;
_journal_issue                   47
_journal_name_full               'Dalton Transactions'
_journal_page_first              10563
_journal_page_last               10569
_journal_paper_doi               10.1039/b912823a
_journal_year                    2009
_chemical_formula_moiety         'C37 H22 Cl N4 O3 Re, C H2 Cl2'
_chemical_formula_sum            'C38 H24 Cl3 N4 O3 Re'
_chemical_formula_weight         877.16
_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                 119.103(2)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   28.810(3)
_cell_length_b                   12.8548(12)
_cell_length_c                   21.063(2)
_cell_measurement_reflns_used    1328
_cell_measurement_temperature    291(2)
_cell_measurement_theta_max      15.75
_cell_measurement_theta_min      2.21
_cell_volume                     6815.8(12)
_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  'Bruker SHELXTL'
_computing_structure_solution    'Bruker SHELXTL'
_diffrn_ambient_temperature      291(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.0794
_diffrn_reflns_av_sigmaI/netI    0.1082
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -35
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            18099
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.62
_exptl_absorpt_coefficient_mu    3.845
_exptl_absorpt_correction_T_max  0.5286
_exptl_absorpt_correction_T_min  0.4716
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS,2000; Bruker'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    1.710
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3440
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.21
_exptl_crystal_size_min          0.19
_refine_diff_density_max         1.428
_refine_diff_density_min         -0.991
_refine_diff_density_rms         0.159
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.067
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     442
_refine_ls_number_reflns         6689
_refine_ls_number_restraints     367
_refine_ls_restrained_S_all      1.061
_refine_ls_R_factor_all          0.1484
_refine_ls_R_factor_gt           0.0971
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0753P)²+80.9041P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1876
_refine_ls_wR_factor_ref         0.2088
_reflns_number_gt                4272
_reflns_number_total             6689
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b912823a.txt
_cod_data_source_block           90517bm
_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_enum 1527 2010-12-29 10:47:43Z saulius 
;
_cod_original_cell_volume        6815.7(12)
_cod_original_sg_symbol_Hall     '-C 2yc '
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               7002954
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
_atom_site_disorder_assembly
_atom_site_disorder_group
C1 C 0.0575(6) 0.8107(11) 0.4968(7) 0.054(3) Uani 1 1 d U . .
C2 C 0.0798(7) 1.0022(15) 0.4699(9) 0.081(5) Uani 1 1 d U . .
C3 C 0.0311(6) 0.8706(11) 0.3621(8) 0.063(4) Uani 1 1 d U . .
C4 C 0.2658(8) 1.1159(17) 0.6603(12) 0.104(4) Uani 1 1 d U . .
C5 C 0.2399(9) 1.1494(18) 0.5939(13) 0.115(5) Uani 1 1 d U . .
H5 H 0.2191 1.1044 0.5560 0.138 Uiso 1 1 calc R . .
C6 C 0.2440(9) 1.253(2) 0.5807(14) 0.131(5) Uani 1 1 d U . .
H6 H 0.2260 1.2813 0.5343 0.157 Uiso 1 1 calc R . .
C7 C 0.2764(10) 1.311(2) 0.6408(15) 0.134(5) Uani 1 1 d U . .
H7 H 0.2798 1.3809 0.6319 0.161 Uiso 1 1 calc R . .
C8 C 0.3028(9) 1.2828(19) 0.7079(13) 0.118(5) Uani 1 1 d U . .
H8 H 0.3230 1.3299 0.7446 0.142 Uiso 1 1 calc R . .
C9 C 0.2998(9) 1.178(2) 0.7229(13) 0.116(4) Uani 1 1 d U . .
C10 C 0.3211(8) 1.1170(17) 0.7813(12) 0.105(4) Uani 1 1 d U . .
C11 C 0.3574(9) 1.1406(19) 0.8558(13) 0.122(5) Uani 1 1 d U . .
H11 H 0.3712 1.2071 0.8707 0.147 Uiso 1 1 calc R . .
C12 C 0.3710(9) 1.0580(19) 0.9051(13) 0.117(5) Uani 1 1 d U . .
H12 H 0.3936 1.0744 0.9536 0.141 Uiso 1 1 calc R . .
C13 C 0.3562(8) 0.961(2) 0.8916(11) 0.125(5) Uani 1 1 d DU . .
H13 H 0.3681 0.9124 0.9287 0.150 Uiso 1 1 calc R . .
C14 C 0.3188(8) 0.931(2) 0.8137(10) 0.116(4) Uani 1 1 d DU . .
H14 H 0.3064 0.8638 0.7997 0.139 Uiso 1 1 calc R . .
C15 C 0.3057(8) 1.0076(19) 0.7682(13) 0.111(4) Uani 1 1 d U . .
C16 C 0.1970(6) 0.9227(13) 0.5970(8) 0.071(4) Uani 1 1 d U . .
H16 H 0.1769 0.9803 0.5953 0.085 Uiso 1 1 calc R . .
C17 C 0.2492(7) 0.9182(14) 0.6505(9) 0.081(3) Uani 1 1 d U . .
C18 C 0.2779(7) 0.8283(13) 0.6576(9) 0.077(4) Uani 1 1 d U . .
H18 H 0.3126 0.8211 0.6951 0.093 Uiso 1 1 calc R . .
C19 C 0.2535(6) 0.7491(12) 0.6074(8) 0.065(4) Uani 1 1 d U . .
H19 H 0.2718 0.6880 0.6108 0.078 Uiso 1 1 calc R . .
C20 C 0.2008(5) 0.7618(11) 0.5511(7) 0.055(3) Uani 1 1 d U . .
C21 C 0.1749(5) 0.6857(10) 0.4927(6) 0.046(3) Uani 1 1 d U . .
C22 C 0.1965(5) 0.5921(10) 0.4888(7) 0.051(3) Uani 1 1 d U . .
H22 H 0.2299 0.5730 0.5258 0.062 Uiso 1 1 calc R . .
C23 C 0.1690(5) 0.5262(10) 0.4307(7) 0.054(3) Uani 1 1 d U . .
H23 H 0.1839 0.4636 0.4275 0.065 Uiso 1 1 calc R . .
C24 C 0.1191(5) 0.5552(11) 0.3774(7) 0.053(3) Uani 1 1 d U . .
C25 C 0.0987(5) 0.6461(11) 0.3859(7) 0.056(3) Uani 1 1 d U . .
H25 H 0.0643 0.6635 0.3510 0.067 Uiso 1 1 calc R . .
C26 C 0.0877(6) 0.3828(12) 0.3167(8) 0.065(4) Uani 1 1 d U . .
C27 C 0.1054(7) 0.3134(14) 0.3731(10) 0.080(5) Uani 1 1 d U . .
H27 H 0.1228 0.3361 0.4211 0.096 Uiso 1 1 calc R . .
C28 C 0.0969(7) 0.2090(15) 0.3568(11) 0.094(6) Uani 1 1 d U . .
H28 H 0.1089 0.1607 0.3943 0.113 Uiso 1 1 calc R . .
C29 C 0.0720(7) 0.1764(15) 0.2891(11) 0.092(5) Uani 1 1 d U . .
H29 H 0.0676 0.1052 0.2803 0.110 Uiso 1 1 calc R . .
C30 C 0.0520(7) 0.2434(14) 0.2302(10) 0.087(5) Uani 1 1 d U . .
H30 H 0.0345 0.2183 0.1828 0.104 Uiso 1 1 calc R . .
C31 C 0.0591(6) 0.3503(12) 0.2444(9) 0.065(4) Uani 1 1 d U . .
C32 C 0.0444(6) 0.4399(11) 0.1980(8) 0.060(4) Uani 1 1 d U . .
C33 C 0.0177(6) 0.4557(14) 0.1237(9) 0.079(4) Uani 1 1 d U . .
H33 H 0.0024 0.3999 0.0923 0.094 Uiso 1 1 calc R . .
C34 C 0.0141(7) 0.5528(15) 0.0971(10) 0.087(5) Uani 1 1 d U . .
H34 H -0.0025 0.5623 0.0470 0.105 Uiso 1 1 calc R . .
C35 C 0.0346(6) 0.6395(13) 0.1425(9) 0.078(4) Uani 1 1 d U . .
H35 H 0.0315 0.7058 0.1231 0.093 Uiso 1 1 calc R . .
C36 C 0.0598(6) 0.6245(11) 0.2169(8) 0.064(4) Uani 1 1 d U . .
H36 H 0.0731 0.6810 0.2482 0.077 Uiso 1 1 calc R . .
C37 C 0.0650(6) 0.5255(11) 0.2440(7) 0.059(3) Uani 1 1 d U . .
C38 C 0.1181(10) 0.064(2) 0.7094(14) 0.152(6) Uani 1 1 d U . .
H38A H 0.0977 0.1284 0.6966 0.183 Uiso 1 1 calc R . .
H38B H 0.1192 0.0378 0.7532 0.183 Uiso 1 1 calc R . .
Cl1 Cl 0.15015(17) 0.9286(3) 0.3977(2) 0.0754(11) Uani 1 1 d . . .
Cl2 Cl 0.1790(3) 0.0927(8) 0.7285(5) 0.204(4) Uani 1 1 d U . .
Cl3 Cl 0.0849(3) -0.0228(5) 0.6418(3) 0.127(2) Uani 1 1 d U . .
N1 N 0.2723(6) 1.0114(13) 0.6943(9) 0.103(3) Uani 1 1 d U . .
N2 N 0.1734(4) 0.8472(8) 0.5467(6) 0.055(3) Uani 1 1 d . . .
N3 N 0.1249(4) 0.7125(9) 0.4412(6) 0.054(3) Uani 1 1 d . . .
N4 N 0.0894(4) 0.4909(8) 0.3157(6) 0.055(3) Uani 1 1 d U . .
O1 O 0.0336(4) 0.7813(9) 0.5229(6) 0.080(3) Uani 1 1 d . . .
O2 O 0.0707(6) 1.0838(10) 0.4812(7) 0.116(5) Uani 1 1 d . . .
O3 O -0.0085(5) 0.8720(10) 0.3097(6) 0.099(4) Uani 1 1 d . . .
Re1 Re 0.09631(2) 0.86412(4) 0.45216(3) 0.0542(2) 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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
O1 C1 Re1 178.1(13) . . ?
O2 C2 Re1 179(2) . . ?
O3 C3 Re1 177.4(14) . . ?
C5 C4 C9 125(2) . . ?
C5 C4 N1 134(2) . . ?
C9 C4 N1 101(2) . . ?
C4 C5 C6 119(2) . . ?
C4 C5 H5 120.7 . . ?
C6 C5 H5 120.7 . . ?
C5 C6 C7 115(3) . . ?
C5 C6 H6 122.3 . . ?
C7 C6 H6 122.3 . . ?
C8 C7 C6 129(3) . . ?
C8 C7 H7 115.5 . . ?
C6 C7 H7 115.5 . . ?
C7 C8 C9 117(3) . . ?
C7 C8 H8 121.5 . . ?
C9 C8 H8 121.5 . . ?
C10 C9 C8 137(2) . . ?
C10 C9 C4 109(2) . . ?
C8 C9 C4 115(2) . . ?
C9 C10 C11 131(2) . . ?
C9 C10 C15 116(2) . . ?
C11 C10 C15 114(2) . . ?
C12 C11 C10 116(2) . . ?
C12 C11 H11 121.9 . . ?
C10 C11 H11 121.9 . . ?
C13 C12 C11 128(2) . . ?
C13 C12 H12 115.9 . . ?
C11 C12 H12 115.9 . . ?
C12 C13 C14 118(2) . . ?
C12 C13 H13 121.1 . . ?
C14 C13 H13 121.1 . . ?
C15 C14 C13 114(2) . . ?
C15 C14 H14 122.9 . . ?
C13 C14 H14 122.9 . . ?
C14 C15 N1 131(2) . . ?
C14 C15 C10 130(2) . . ?
N1 C15 C10 99(2) . . ?
N2 C16 C17 123.1(15) . . ?
N2 C16 H16 118.4 . . ?
C17 C16 H16 118.4 . . ?
C16 C17 C18 118.7(16) . . ?
C16 C17 N1 117.7(16) . . ?
C18 C17 N1 123.5(16) . . ?
C17 C18 C19 118.4(16) . . ?
C17 C18 H18 120.8 . . ?
C19 C18 H18 120.8 . . ?
C18 C19 C20 119.7(15) . . ?
C18 C19 H19 120.1 . . ?
C20 C19 H19 120.1 . . ?
N2 C20 C19 121.0(13) . . ?
N2 C20 C21 116.8(12) . . ?
C19 C20 C21 122.1(13) . . ?
N3 C21 C22 120.5(12) . . ?
N3 C21 C20 114.4(12) . . ?
C22 C21 C20 125.1(12) . . ?
C21 C22 C23 120.7(12) . . ?
C21 C22 H22 119.7 . . ?
C23 C22 H22 119.7 . . ?
C24 C23 C22 118.6(12) . . ?
C24 C23 H23 120.7 . . ?
C22 C23 H23 120.7 . . ?
C25 C24 C23 118.1(13) . . ?
C25 C24 N4 121.0(12) . . ?
C23 C24 N4 120.9(12) . . ?
N3 C25 C24 124.4(13) . . ?
N3 C25 H25 117.8 . . ?
C24 C25 H25 117.8 . . ?
C27 C26 N4 131.5(15) . . ?
C27 C26 C31 121.6(15) . . ?
N4 C26 C31 106.8(13) . . ?
C26 C27 C28 118.1(17) . . ?
C26 C27 H27 120.9 . . ?
C28 C27 H27 120.9 . . ?
C29 C28 C27 121.2(19) . . ?
C29 C28 H28 119.4 . . ?
C27 C28 H28 119.4 . . ?
C28 C29 C30 122.9(19) . . ?
C28 C29 H29 118.5 . . ?
C30 C29 H29 118.5 . . ?
C29 C30 C31 117.7(17) . . ?
C29 C30 H30 121.1 . . ?
C31 C30 H30 121.1 . . ?
C26 C31 C30 118.3(15) . . ?
C26 C31 C32 109.0(13) . . ?
C30 C31 C32 132.7(15) . . ?
C33 C32 C37 119.0(15) . . ?
C33 C32 C31 134.9(14) . . ?
C37 C32 C31 106.0(13) . . ?
C34 C33 C32 119.6(16) . . ?
C34 C33 H33 120.2 . . ?
C32 C33 H33 120.2 . . ?
C33 C34 C35 122.1(17) . . ?
C33 C34 H34 119.0 . . ?
C35 C34 H34 119.0 . . ?
C36 C35 C34 118.5(16) . . ?
C36 C35 H35 120.8 . . ?
C34 C35 H35 120.8 . . ?
C37 C36 C35 119.5(14) . . ?
C37 C36 H36 120.3 . . ?
C35 C36 H36 120.3 . . ?
C36 C37 N4 130.0(13) . . ?
C36 C37 C32 121.3(14) . . ?
N4 C37 C32 108.7(13) . . ?
Cl2 C38 Cl3 117.0(15) . . ?
Cl2 C38 H38A 108.1 . . ?
Cl3 C38 H38A 108.1 . . ?
Cl2 C38 H38B 108.1 . . ?
Cl3 C38 H38B 108.1 . . ?
H38A C38 H38B 107.3 . . ?
C15 N1 C17 122.6(18) . . ?
C15 N1 C4 115.6(18) . . ?
C17 N1 C4 121.5(16) . . ?
C20 N2 C16 118.9(12) . . ?
C20 N2 Re1 117.3(8) . . ?
C16 N2 Re1 123.5(10) . . ?
C25 N3 C21 117.6(11) . . ?
C25 N3 Re1 125.5(9) . . ?
C21 N3 Re1 116.8(9) . . ?
C26 N4 C37 109.5(11) . . ?
C26 N4 C24 125.2(11) . . ?
C37 N4 C24 124.6(11) . . ?
C1 Re1 C3 88.6(6) . . ?
C1 Re1 C2 88.7(7) . . ?
C3 Re1 C2 86.3(7) . . ?
C1 Re1 N2 95.5(5) . . ?
C3 Re1 N2 173.4(5) . . ?
C2 Re1 N2 98.9(6) . . ?
C1 Re1 N3 94.2(5) . . ?
C3 Re1 N3 100.0(5) . . ?
C2 Re1 N3 173.1(6) . . ?
N2 Re1 N3 74.6(4) . . ?
C1 Re1 Cl1 177.4(4) . . ?
C3 Re1 Cl1 93.5(4) . . ?
C2 Re1 Cl1 93.0(5) . . ?
N2 Re1 Cl1 82.3(3) . . ?
N3 Re1 Cl1 84.0(3) . . ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
_geom_bond_publ_flag
C1 O1 1.134(16) . ?
C1 Re1 1.904(16) . ?
C2 O2 1.135(18) . ?
C2 Re1 1.920(18) . ?
C3 O3 1.138(16) . ?
C3 Re1 1.916(15) . ?
C4 C5 1.30(3) . ?
C4 C9 1.44(3) . ?
C4 N1 1.49(2) . ?
C5 C6 1.38(3) . ?
C5 H5 0.9300 . ?
C6 C7 1.37(3) . ?
C6 H6 0.9300 . ?
C7 C8 1.29(3) . ?
C7 H7 0.9300 . ?
C8 C9 1.39(3) . ?
C8 H8 0.9300 . ?
C9 C10 1.33(3) . ?
C10 C11 1.43(3) . ?
C10 C15 1.46(3) . ?
C11 C12 1.40(3) . ?
C11 H11 0.9300 . ?
C12 C13 1.30(3) . ?
C12 H12 0.9300 . ?
C13 C14 1.510(10) . ?
C13 H13 0.9300 . ?
C14 C15 1.29(3) . ?
C14 H14 0.9300 . ?
C15 N1 1.37(2) . ?
C16 N2 1.351(17) . ?
C16 C17 1.38(2) . ?
C16 H16 0.9300 . ?
C17 C18 1.39(2) . ?
C17 N1 1.46(2) . ?
C18 C19 1.39(2) . ?
C18 H18 0.9300 . ?
C19 C20 1.409(18) . ?
C19 H19 0.9300 . ?
C20 N2 1.329(16) . ?
C20 C21 1.460(18) . ?
C21 N3 1.360(15) . ?
C21 C22 1.375(17) . ?
C22 C23 1.379(17) . ?
C22 H22 0.9300 . ?
C23 C24 1.377(17) . ?
C23 H23 0.9300 . ?
C24 C25 1.358(18) . ?
C24 N4 1.422(16) . ?
C25 N3 1.341(16) . ?
C25 H25 0.9300 . ?
C26 C27 1.37(2) . ?
C26 N4 1.391(17) . ?
C26 C31 1.40(2) . ?
C27 C28 1.38(2) . ?
C27 H27 0.9300 . ?
C28 C29 1.31(2) . ?
C28 H28 0.9300 . ?
C29 C30 1.38(2) . ?
C29 H29 0.9300 . ?
C30 C31 1.40(2) . ?
C30 H30 0.9300 . ?
C31 C32 1.43(2) . ?
C32 C33 1.38(2) . ?
C32 C37 1.394(18) . ?
C33 C34 1.35(2) . ?
C33 H33 0.9300 . ?
C34 C35 1.40(2) . ?
C34 H34 0.9300 . ?
C35 C36 1.38(2) . ?
C35 H35 0.9300 . ?
C36 C37 1.372(18) . ?
C36 H36 0.9300 . ?
C37 N4 1.393(16) . ?
C38 Cl2 1.64(2) . ?
C38 Cl3 1.69(2) . ?
C38 H38A 0.9700 . ?
C38 H38B 0.9700 . ?
Cl1 Re1 2.477(4) . ?
N2 Re1 2.154(11) . ?
N3 Re1 2.172(11) . ?
