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#$Date: 2022-03-07 10:47:52 +0200 (Mon, 07 Mar 2022) $
#$Revision: 273485 $
#$URL: file:///home/coder/svn-repositories/cod/cif/8/10/46/8104657.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_8104657
loop_
_publ_author_name
'Moherane, Lehlohonolo'
'Alexander, Orbett T.'
'Visser, Hendrik G.'
'Manicum, Amanda-Lee E.'
_publ_section_title
;
 The crystal structure of
 [μ-hydroxido-bis[(5,5′-dimethyl-2,2′-bipyridine-κ2
 N,N′)-tricarbonylrhenium(I)] bromide hemihydrate, C30H26N4O9Re2Br
;
_journal_issue                   5
_journal_name_full
'Zeitschrift für Kristallographie - New Crystal Structures'
_journal_page_first              1027
_journal_page_last               1029
_journal_paper_doi               10.1515/ncrs-2021-0210
_journal_volume                  236
_journal_year                    2021
_chemical_formula_moiety         '0.5(C30 H25 N4 O7 Re2), 0.5(Br), 0.25(H2 O)'
_chemical_formula_sum            'C15 H13 Br0.5 N2 O3.75 Re'
_chemical_formula_weight         507.43
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     iterative
_cell_angle_alpha                82.700(2)
_cell_angle_beta                 76.682(2)
_cell_angle_gamma                77.364(2)
_cell_formula_units_Z            4
_cell_length_a                   9.4069(6)
_cell_length_b                   11.7695(8)
_cell_length_c                   15.0549(11)
_cell_measurement_reflns_used    9860
_cell_measurement_temperature    100.0
_cell_measurement_theta_max      28.26
_cell_measurement_theta_min      3.15
_cell_volume                     1577.52(19)
_computing_cell_refinement       'SAINT V8.40B (?, 2016)'
_computing_data_reduction        'SAINT V8.40B (?, 2016)'
_computing_molecular_graphics    'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_publication_material  'Olex2 1.3 (Dolomanov et al., 2009)'
_computing_structure_refinement  'SHELXL 2017/1 (Sheldrick, 2015)'
_computing_structure_solution    'olex2.solve 1.3 (Bourhis et al., 2015)'
_diffrn_ambient_temperature      100.0
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       'φ and ω scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0748
_diffrn_reflns_av_unetI/netI     0.0381
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_number            66539
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.311
_diffrn_reflns_theta_min         1.779
_diffrn_source_current           1.4
_diffrn_source_power             0.07
_diffrn_source_voltage           50.0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.987
_exptl_absorpt_correction_T_max  0.7457
_exptl_absorpt_correction_T_min  0.4234
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
SADABS-2016/2 (Bruker,2016/2) was used for absorption correction.
wR2(int) was 0.1510 before and 0.1057 after correction.
The Ratio of minimum to maximum transmission is 0.5678.
The λ/2 correction factor is Not present.
;
_exptl_crystal_colour            yellow
_exptl_crystal_colour_primary    yellow
_exptl_crystal_density_diffrn    2.137
_exptl_crystal_description       Plate
_exptl_crystal_F_000             958
_exptl_crystal_size_max          0.373
_exptl_crystal_size_mid          0.13
_exptl_crystal_size_min          0.036
_refine_diff_density_max         1.767
_refine_diff_density_min         -1.713
_refine_diff_density_rms         0.212
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.039
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     417
_refine_ls_number_reflns         7825
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.039
_refine_ls_R_factor_all          0.0329
_refine_ls_R_factor_gt           0.0291
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0577P)²+1.3040P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0868
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                7101
_reflns_number_total             7825
_reflns_threshold_expression     'I > 2σ(I)'
_cod_data_source_file            suppl_j_ncrs-2021-0210_suppl.cif
_cod_data_source_block           mo_v4_21olam1_0m
_cod_original_formula_sum        'C15 H13 Br0.50 N2 O3.75 Re'
_cod_database_code               8104657
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_t_max   0.738
_shelx_estimated_absorpt_t_min   0.134
_olex2_refinement_description
;
1. Fixed Uiso
 At 1.2 times of:
  All C(H) groups
 At 1.5 times of:
  All C(H,H,H) groups, All O(H,H) groups
2. Others
 Fixed Sof: O8(0.5) H8A(0.5) H8B(0.5)
3.a Free rotating group:
 O8(H8A,H8B)
3.b Aromatic/amide H refined with riding coordinates:
 C1(H1), C4(H4), C5(H5), C8(H8), C9(H9), C12(H12), C13(H13), C16(H16),
 C17(H17), C20(H20), C21(H21), C24(H24)
3.c Idealised Me refined as rotating group:
 C3(H3A,H3B,H3C), C11(H11A,H11B,H11C), C15(H15A,H15B,H15C), C23(H23A,H23B,H23C)
;
loop_
_space_group_symop_operation_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_site_symmetry_order
_atom_site_calc_flag
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
Re1 Re 0.47912(2) 0.76356(2) 0.65205(2) 0.01447(6) Uani 1 1 d . . . . .
Re2 Re 0.78173(2) 0.78395(2) 0.78668(2) 0.01459(6) Uani 1 1 d . . . . .
O1 O 0.2263(4) 0.7703(3) 0.8212(2) 0.0303(7) Uani 1 1 d . . . . .
O2 O 0.4463(4) 1.0289(3) 0.6515(2) 0.0300(7) Uani 1 1 d . . . . .
O3 O 0.2410(4) 0.8437(3) 0.5372(2) 0.0290(7) Uani 1 1 d . . . . .
O4 O 0.7785(4) 0.9886(3) 0.6391(2) 0.0355(8) Uani 1 1 d . . . . .
O5 O 1.0724(3) 0.6629(3) 0.6680(2) 0.0306(7) Uani 1 1 d . . . . .
O6 O 0.9493(4) 0.9241(3) 0.8701(2) 0.0288(7) Uani 1 1 d . . . . .
O7 O 0.6434(3) 0.6990(2) 0.73385(18) 0.0170(5) Uani 1 1 d . . . . .
H7 H 0.662(6) 0.625(5) 0.744(4) 0.036(15) Uiso 1 1 d . . . . .
N1 N 0.5052(4) 0.5799(3) 0.6341(2) 0.0186(6) Uani 1 1 d . . . . .
N2 N 0.6716(4) 0.7262(3) 0.5400(2) 0.0173(6) Uani 1 1 d . . . . .
N3 N 0.7681(4) 0.6445(3) 0.8959(2) 0.0170(6) Uani 1 1 d . . . . .
N4 N 0.5725(4) 0.8418(3) 0.8819(2) 0.0150(6) Uani 1 1 d . . . . .
C1 C 0.4138(5) 0.5110(4) 0.6834(3) 0.0198(7) Uani 1 1 d . . . . .
H1 H 0.331116 0.544999 0.727713 0.024 Uiso 1 1 calc R U . . .
C01 C 0.4641(4) 0.9275(4) 0.6549(3) 0.0208(8) Uani 1 1 d . . . . .
C02 C 0.3205(5) 0.7703(3) 0.7576(3) 0.0205(8) Uani 1 1 d . . . . .
C2 C 0.4339(5) 0.3931(4) 0.6731(3) 0.0269(9) Uani 1 1 d . . . . .
C03 C 0.3329(5) 0.8111(3) 0.5792(3) 0.0201(7) Uani 1 1 d . . . . .
C3 C 0.3305(6) 0.3204(4) 0.7355(3) 0.0361(11) Uani 1 1 d . . . . .
H3A H 0.329946 0.251642 0.705180 0.054 Uiso 1 1 calc R U . . .
H3B H 0.229437 0.367336 0.749008 0.054 Uiso 1 1 calc R U . . .
H3C H 0.365355 0.295167 0.792773 0.054 Uiso 1 1 calc R U . . .
C04 C 0.7781(5) 0.9101(4) 0.6933(3) 0.0220(8) Uani 1 1 d . . . . .
C4 C 0.5537(6) 0.3460(4) 0.6081(3) 0.0289(10) Uani 1 1 d . . . . .
H4 H 0.570375 0.265460 0.598535 0.035 Uiso 1 1 calc R U . . .
C05 C 0.9633(5) 0.7092(3) 0.7113(3) 0.0190(7) Uani 1 1 d . . . . .
C5 C 0.6495(5) 0.4142(4) 0.5567(3) 0.0247(8) Uani 1 1 d . . . . .
H5 H 0.732036 0.381483 0.511741 0.030 Uiso 1 1 calc R U . . .
C06 C 0.8893(4) 0.8678(4) 0.8393(3) 0.0204(8) Uani 1 1 d . . . . .
C6 C 0.6236(4) 0.5321(3) 0.5718(2) 0.0181(7) Uani 1 1 d . . . . .
C7 C 0.7195(4) 0.6126(3) 0.5213(3) 0.0186(7) Uani 1 1 d . . . . .
C8 C 0.8483(5) 0.5789(4) 0.4570(3) 0.0267(9) Uani 1 1 d . . . . .
H8 H 0.880988 0.499117 0.444656 0.032 Uiso 1 1 calc R U . . .
C9 C 0.9301(5) 0.6610(4) 0.4106(3) 0.0297(10) Uani 1 1 d . . . . .
H9 H 1.019059 0.637777 0.366753 0.036 Uiso 1 1 calc R U . . .
C10 C 0.8806(5) 0.7781(4) 0.4289(3) 0.0274(9) Uani 1 1 d . . . . .
C11 C 0.9639(6) 0.8710(5) 0.3812(4) 0.0438(14) Uani 1 1 d . . . . .
H11A H 0.930569 0.901075 0.324137 0.066 Uiso 1 1 calc R U . . .
H11B H 1.070837 0.837913 0.367379 0.066 Uiso 1 1 calc R U . . .
H11C H 0.944671 0.934801 0.421003 0.066 Uiso 1 1 calc R U . . .
C12 C 0.7496(5) 0.8066(4) 0.4942(3) 0.0229(8) Uani 1 1 d . . . . .
H12 H 0.713937 0.886049 0.506986 0.028 Uiso 1 1 calc R U . . .
C13 C 0.8713(4) 0.5463(3) 0.8985(3) 0.0187(7) Uani 1 1 d . . . . .
H13 H 0.959595 0.538994 0.852059 0.022 Uiso 1 1 calc R U . . .
C14 C 0.8560(5) 0.4544(3) 0.9656(3) 0.0193(7) Uani 1 1 d . . . . .
C15 C 0.9699(5) 0.3434(4) 0.9583(3) 0.0253(9) Uani 1 1 d . . . . .
H15A H 0.954763 0.298232 0.912087 0.038 Uiso 1 1 calc R U . . .
H15B H 0.959838 0.297465 1.017689 0.038 Uiso 1 1 calc R U . . .
H15C H 1.069893 0.361719 0.940420 0.038 Uiso 1 1 calc R U . . .
C16 C 0.7285(5) 0.4683(4) 1.0339(3) 0.0228(8) Uani 1 1 d . . . . .
H16 H 0.715074 0.408295 1.081824 0.027 Uiso 1 1 calc R U . . .
C17 C 0.6204(5) 0.5688(3) 1.0332(3) 0.0203(7) Uani 1 1 d . . . . .
H17 H 0.533050 0.578544 1.080271 0.024 Uiso 1 1 calc R U . . .
C18 C 0.6418(4) 0.6554(3) 0.9622(3) 0.0169(7) Uani 1 1 d . . . . .
C19 C 0.5329(4) 0.7638(3) 0.9531(3) 0.0164(7) Uani 1 1 d . . . . .
C20 C 0.3960(5) 0.7873(4) 1.0133(3) 0.0234(8) Uani 1 1 d . . . . .
H20 H 0.370097 0.732986 1.063578 0.028 Uiso 1 1 calc R U . . .
C21 C 0.2976(5) 0.8908(4) 0.9992(3) 0.0235(8) Uani 1 1 d . . . . .
H21 H 0.202621 0.906772 1.039174 0.028 Uiso 1 1 calc R U . . .
C22 C 0.3374(5) 0.9714(4) 0.9268(3) 0.0227(8) Uani 1 1 d . . . . .
C23 C 0.2345(5) 1.0840(4) 0.9088(3) 0.0315(10) Uani 1 1 d . . . . .
H23A H 0.133003 1.079571 0.942045 0.047 Uiso 1 1 calc R U . . .
H23B H 0.236537 1.098086 0.842989 0.047 Uiso 1 1 calc R U . . .
H23C H 0.266645 1.148048 0.929531 0.047 Uiso 1 1 calc R U . . .
C24 C 0.4779(4) 0.9428(3) 0.8710(3) 0.0199(7) Uani 1 1 d . . . . .
H24 H 0.508390 0.998041 0.822531 0.024 Uiso 1 1 calc R U . . .
Br1 Br 0.73677(5) 0.40622(3) 0.77872(3) 0.02126(9) Uani 1 1 d . . . . .
O8 O 0.6439(14) 1.1597(9) 0.7718(7) 0.071(3) Uani 0.5 1 d G . P . .
H8A H 0.663878 1.128466 0.719848 0.106 Uiso 0.5 1 d G U P . .
H8B H 0.669734 1.227376 0.757639 0.106 Uiso 0.5 1 d G U P . .
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'
Br Br -0.2901 2.4595 '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'
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
O7 Re1 N1 82.85(11) . .
O7 Re1 N2 82.49(11) . .
N1 Re1 N2 74.75(12) . .
C01 Re1 O7 99.58(14) . .
C01 Re1 N1 174.21(14) . .
C01 Re1 N2 100.28(15) . .
C01 Re1 C02 88.08(17) . .
C02 Re1 O7 91.86(14) . .
C02 Re1 N1 97.12(15) . .
C02 Re1 N2 170.56(15) . .
C03 Re1 O7 176.51(13) . .
C03 Re1 N1 93.70(14) . .
C03 Re1 N2 97.11(15) . .
C03 Re1 C01 83.90(16) . .
C03 Re1 C02 88.07(17) . .
O7 Re2 N3 84.05(11) . .
O7 Re2 N4 81.89(11) . .
N3 Re2 N4 74.90(12) . .
C04 Re2 O7 93.92(14) . .
C04 Re2 N3 175.76(15) . .
C04 Re2 N4 101.15(15) . .
C04 Re2 C05 87.01(18) . .
C05 Re2 O7 94.25(14) . .
C05 Re2 N3 96.83(15) . .
C05 Re2 N4 171.14(14) . .
C06 Re2 O7 174.96(13) . .
C06 Re2 N3 96.04(15) . .
C06 Re2 N4 93.26(14) . .
C06 Re2 C04 85.65(17) . .
C06 Re2 C05 90.75(16) . .
Re1 O7 H7 114(4) . .
Re2 O7 Re1 132.22(14) . .
Re2 O7 H7 113(4) . .
C1 N1 Re1 123.9(3) . .
C1 N1 C6 118.7(3) . .
C6 N1 Re1 117.4(3) . .
C7 N2 Re1 116.4(3) . .
C12 N2 Re1 124.0(3) . .
C12 N2 C7 119.4(4) . .
C13 N3 Re2 124.2(3) . .
C13 N3 C18 118.5(3) . .
C18 N3 Re2 117.1(3) . .
C19 N4 Re2 116.0(3) . .
C24 N4 Re2 124.8(3) . .
C24 N4 C19 118.9(3) . .
N1 C1 H1 118.3 . .
N1 C1 C2 123.4(4) . .
C2 C1 H1 118.3 . .
O2 C01 Re1 174.0(3) . .
O1 C02 Re1 177.7(4) . .
C1 C2 C3 119.9(4) . .
C4 C2 C1 117.2(4) . .
C4 C2 C3 122.8(4) . .
O3 C03 Re1 177.2(4) . .
C2 C3 H3A 109.5 . .
C2 C3 H3B 109.5 . .
C2 C3 H3C 109.5 . .
H3A C3 H3B 109.5 . .
H3A C3 H3C 109.5 . .
H3B C3 H3C 109.5 . .
O4 C04 Re2 177.1(4) . .
C2 C4 H4 119.6 . .
C2 C4 C5 120.7(4) . .
C5 C4 H4 119.6 . .
O5 C05 Re2 178.4(4) . .
C4 C5 H5 120.5 . .
C4 C5 C6 118.9(4) . .
C6 C5 H5 120.5 . .
O6 C06 Re2 176.3(4) . .
N1 C6 C5 121.0(4) . .
N1 C6 C7 115.6(3) . .
C5 C6 C7 123.4(4) . .
N2 C7 C6 115.5(3) . .
N2 C7 C8 120.6(4) . .
C8 C7 C6 123.9(4) . .
C7 C8 H8 119.9 . .
C7 C8 C9 120.2(4) . .
C9 C8 H8 119.9 . .
C8 C9 H9 120.3 . .
C8 C9 C10 119.4(4) . .
C10 C9 H9 120.3 . .
C9 C10 C11 122.1(4) . .
C12 C10 C9 117.6(4) . .
C12 C10 C11 120.3(4) . .
C10 C11 H11A 109.5 . .
C10 C11 H11B 109.5 . .
C10 C11 H11C 109.5 . .
H11A C11 H11B 109.5 . .
H11A C11 H11C 109.5 . .
H11B C11 H11C 109.5 . .
N2 C12 C10 122.7(4) . .
N2 C12 H12 118.6 . .
C10 C12 H12 118.6 . .
N3 C13 H13 118.3 . .
N3 C13 C14 123.5(4) . .
C14 C13 H13 118.3 . .
C13 C14 C15 119.9(4) . .
C16 C14 C13 117.2(4) . .
C16 C14 C15 122.8(4) . .
C14 C15 H15A 109.5 . .
C14 C15 H15B 109.5 . .
C14 C15 H15C 109.5 . .
H15A C15 H15B 109.5 . .
H15A C15 H15C 109.5 . .
H15B C15 H15C 109.5 . .
C14 C16 H16 119.7 . .
C17 C16 C14 120.6(4) . .
C17 C16 H16 119.7 . .
C16 C17 H17 120.6 . .
C16 C17 C18 118.8(4) . .
C18 C17 H17 120.6 . .
N3 C18 C17 121.3(4) . .
N3 C18 C19 115.2(3) . .
C17 C18 C19 123.5(4) . .
N4 C19 C18 116.4(3) . .
N4 C19 C20 120.9(4) . .
C20 C19 C18 122.6(4) . .
C19 C20 H20 120.3 . .
C21 C20 C19 119.3(4) . .
C21 C20 H20 120.3 . .
C20 C21 H21 119.9 . .
C20 C21 C22 120.1(4) . .
C22 C21 H21 119.9 . .
C21 C22 C23 122.0(4) . .
C24 C22 C21 117.1(4) . .
C24 C22 C23 120.9(4) . .
C22 C23 H23A 109.5 . .
C22 C23 H23B 109.5 . .
C22 C23 H23C 109.5 . .
H23A C23 H23B 109.5 . .
H23A C23 H23C 109.5 . .
H23B C23 H23C 109.5 . .
N4 C24 C22 123.6(4) . .
N4 C24 H24 118.2 . .
C22 C24 H24 118.2 . .
H8A O8 H8B 104.5 . .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
Re1 O7 2.146(3) .
Re1 N1 2.165(3) .
Re1 N2 2.179(3) .
Re1 C01 1.909(4) .
Re1 C02 1.910(4) .
Re1 C03 1.900(4) .
Re2 O7 2.139(3) .
Re2 N3 2.173(3) .
Re2 N4 2.181(3) .
Re2 C04 1.911(4) .
Re2 C05 1.919(4) .
Re2 C06 1.906(4) .
O1 C02 1.145(5) .
O2 C01 1.164(5) .
O3 C03 1.157(5) .
O4 C04 1.153(5) .
O5 C05 1.145(5) .
O6 C06 1.155(5) .
O7 H7 0.85(6) .
N1 C1 1.345(5) .
N1 C6 1.347(5) .
N2 C7 1.357(5) .
N2 C12 1.347(5) .
N3 C13 1.340(5) .
N3 C18 1.358(5) .
N4 C19 1.358(5) .
N4 C24 1.336(5) .
C1 H1 0.9500 .
C1 C2 1.382(6) .
C2 C3 1.517(6) .
C2 C4 1.375(7) .
C3 H3A 0.9800 .
C3 H3B 0.9800 .
C3 H3C 0.9800 .
C4 H4 0.9500 .
C4 C5 1.376(6) .
C5 H5 0.9500 .
C5 C6 1.394(5) .
C6 C7 1.471(5) .
C7 C8 1.382(6) .
C8 H8 0.9500 .
C8 C9 1.385(6) .
C9 H9 0.9500 .
C9 C10 1.396(7) .
C10 C11 1.497(6) .
C10 C12 1.394(6) .
C11 H11A 0.9800 .
C11 H11B 0.9800 .
C11 H11C 0.9800 .
C12 H12 0.9500 .
C13 H13 0.9500 .
C13 C14 1.391(6) .
C14 C15 1.496(5) .
C14 C16 1.383(6) .
C15 H15A 0.9800 .
C15 H15B 0.9800 .
C15 H15C 0.9800 .
C16 H16 0.9500 .
C16 C17 1.381(6) .
C17 H17 0.9500 .
C17 C18 1.392(5) .
C18 C19 1.464(5) .
C19 C20 1.388(6) .
C20 H20 0.9500 .
C20 C21 1.384(6) .
C21 H21 0.9500 .
C21 C22 1.391(6) .
C22 C23 1.495(5) .
C22 C24 1.390(5) .
C23 H23A 0.9800 .
C23 H23B 0.9800 .
C23 H23C 0.9800 .
C24 H24 0.9500 .
O8 H8A 0.8702 .
O8 H8B 0.8703 .
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_2
_geom_torsion_site_symmetry_3
_geom_torsion_site_symmetry_4
Re1 N1 C1 C2 -178.2(3) . . . .
Re1 N1 C6 C5 179.3(3) . . . .
Re1 N1 C6 C7 -1.6(4) . . . .
Re1 N2 C7 C6 7.3(4) . . . .
Re1 N2 C7 C8 -174.2(3) . . . .
Re1 N2 C12 C10 173.6(3) . . . .
Re2 N3 C13 C14 -175.4(3) . . . .
Re2 N3 C18 C17 177.7(3) . . . .
Re2 N3 C18 C19 -2.6(4) . . . .
Re2 N4 C19 C18 5.7(4) . . . .
Re2 N4 C19 C20 -174.3(3) . . . .
Re2 N4 C24 C22 172.1(3) . . . .
N1 C1 C2 C3 176.4(4) . . . .
N1 C1 C2 C4 -0.5(6) . . . .
N1 C6 C7 N2 -3.8(5) . . . .
N1 C6 C7 C8 177.8(4) . . . .
N2 C7 C8 C9 -0.2(6) . . . .
N3 C13 C14 C15 174.2(4) . . . .
N3 C13 C14 C16 -1.8(6) . . . .
N3 C18 C19 N4 -2.1(5) . . . .
N3 C18 C19 C20 178.0(4) . . . .
N4 C19 C20 C21 1.3(6) . . . .
C1 N1 C6 C5 1.6(5) . . . .
C1 N1 C6 C7 -179.3(3) . . . .
C1 C2 C4 C5 0.7(7) . . . .
C2 C4 C5 C6 0.2(7) . . . .
C3 C2 C4 C5 -176.1(4) . . . .
C4 C5 C6 N1 -1.4(6) . . . .
C4 C5 C6 C7 179.6(4) . . . .
C5 C6 C7 N2 175.3(4) . . . .
C5 C6 C7 C8 -3.1(6) . . . .
C6 N1 C1 C2 -0.6(6) . . . .
C6 C7 C8 C9 178.2(4) . . . .
C7 N2 C12 C10 -1.3(6) . . . .
C7 C8 C9 C10 -0.5(7) . . . .
C8 C9 C10 C11 179.9(5) . . . .
C8 C9 C10 C12 0.3(7) . . . .
C9 C10 C12 N2 0.6(7) . . . .
C11 C10 C12 N2 -179.0(5) . . . .
C12 N2 C7 C6 -177.5(3) . . . .
C12 N2 C7 C8 1.1(6) . . . .
C13 N3 C18 C17 1.9(5) . . . .
C13 N3 C18 C19 -178.4(3) . . . .
C13 C14 C16 C17 1.5(6) . . . .
C14 C16 C17 C18 0.3(6) . . . .
C15 C14 C16 C17 -174.3(4) . . . .
C16 C17 C18 N3 -2.1(6) . . . .
C16 C17 C18 C19 178.2(4) . . . .
C17 C18 C19 N4 177.6(3) . . . .
C17 C18 C19 C20 -2.3(6) . . . .
C18 N3 C13 C14 0.1(6) . . . .
C18 C19 C20 C21 -178.8(4) . . . .
C19 N4 C24 C22 -2.6(6) . . . .
C19 C20 C21 C22 -1.6(7) . . . .
C20 C21 C22 C23 179.7(4) . . . .
C20 C21 C22 C24 -0.1(7) . . . .
C21 C22 C24 N4 2.2(6) . . . .
C23 C22 C24 N4 -177.6(4) . . . .
C24 N4 C19 C18 -179.2(3) . . . .
C24 N4 C19 C20 0.7(6) . . . .
