#------------------------------------------------------------------------------
#$Date: 2016-02-14 06:40:26 +0200 (Sun, 14 Feb 2016) $
#$Revision: 176432 $
#$URL: svn://www.crystallography.net/cod/cif/2/20/22/2202279.cif $
#------------------------------------------------------------------------------
#
# This file is available in the Crystallography Open Database (COD),
# http://www.crystallography.net/. The original data for this entry
# were provided by IUCr Journals, http://journals.iucr.org/.
#
# The file may be used within the scientific community so long as
# proper attribution is given to the journal article from which the
# data were obtained.
#
data_2202279
loop_
_publ_author_name
'Gibson, Dorothy H.'
'Mashuta, Mark S.'
'Yin, Xiaolong'
_publ_section_title
;
 μ-Hydroxo-bis[(4,4'-dimethyl-2,2'-bipyridine)tricarbonylrhenium(I)]
 perrhenate acetone hemisolvate
;
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m911
_journal_page_last               m913
_journal_paper_doi               10.1107/S1600536803020105
_journal_volume                  59
_journal_year                    2003
_chemical_formula_iupac
'[Re2 (C12 H12 N2)2 (Co)6 (OH)]Re O4 , 0.5C3 H6 O'
_chemical_formula_moiety         'C30 H25 N4 O7 Re2, O4 Re, 0.5(C3 H6 O)'
_chemical_formula_sum            'C31.5 H28 N4 O11.5 Re3'
_chemical_formula_weight         1205.16
_chemical_name_common
;
 μ-OH [Re(dmbpy)(CO)₃]₂ ReO₄ acetone solvate
;
_chemical_name_systematic
;
 μ-Hydroxo bis-[Tricarbonyl(4,4'-dimethyl-2,2'-bipyridine)
 rhenium(I)] perrhenate acetone solvate
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 105.2220(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.6841(7)
_cell_length_b                   31.649(2)
_cell_length_c                   10.5758(7)
_cell_measurement_reflns_used    8716
_cell_measurement_temperature    110(2)
_cell_measurement_theta_max      28.08
_cell_measurement_theta_min      2.36
_cell_volume                     3450.6(4)
_computing_cell_refinement       'SAINT (Bruker, 2001)'
_computing_data_collection       'SMART (Bruker, 2001)'
_computing_data_reduction        SAINT
_computing_molecular_graphics    'SHELXTL (Bruker, 2001)'
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS (Sheldrick, 1990)'
_diffrn_ambient_temperature      110(2)
_diffrn_measured_fraction_theta_full 0.930
_diffrn_measured_fraction_theta_max 0.930
_diffrn_measurement_device_type  'SMART APEX CCD'
_diffrn_measurement_method       'ω scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.042
_diffrn_reflns_av_sigmaI/netI    0.045
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       42
_diffrn_reflns_limit_k_min       -41
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            29838
_diffrn_reflns_theta_full        28.30
_diffrn_reflns_theta_max         28.30
_diffrn_reflns_theta_min         1.98
_diffrn_standards_decay_%        <0.1
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.564
_exptl_absorpt_correction_T_max  0.900
_exptl_absorpt_correction_T_min  0.180
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
 (SADABS; Sheldrick, 2001)
;
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.320
_exptl_crystal_density_meas      ?
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rect-plate
_exptl_crystal_F_000             2248
_exptl_crystal_size_max          0.29
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.01
_refine_diff_density_max         3.702
_refine_diff_density_min         -1.944
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.07
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     457
_refine_ls_number_reflns         7989
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.07
_refine_ls_R_factor_all          0.032
_refine_ls_R_factor_gt           0.027
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.001
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[σ²(Fo²)+(0.0390P)²+1.9625P] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.074
_refine_ls_wR_factor_ref         0.076
_reflns_number_gt                7184
_reflns_number_total             7989
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            ac6060.cif
_cod_data_source_block           I
_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 

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_values 1715 2011-07-08 13:25:40Z adriana 

The following automatic conversions were performed:

'_exptl_crystal_density_meas' value 'not measured' was changed to '?'
- the value is perceived as not measured.

Automatic conversion script
Id: cif_fix_values 3008 2015-01-20 13:52:24Z robertas 
;
_cod_original_cell_volume        3450.7(4)
_cod_original_sg_symbol_Hall     '-P 2ybc '
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_original_formula_sum        'C31.50 H28 N4 O11.50 Re3'
_cod_database_code               2202279
_cod_database_fobs_code          2202279
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y-1/2, z-1/2'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_assembly
_atom_site_disorder_group
_atom_site_type_symbol
Re1 0.77598(2) 0.070540(10) 0.27710(2) 0.01529(6) Uani d . 1 . . Re
Re2 0.69927(2) 0.195020(10) 0.26189(2) 0.01525(6) Uani d . 1 . . Re
O1 0.6890(3) 0.04395(10) -0.0131(3) 0.0286(7) Uani d . 1 . . O
O2 1.0227(3) 0.11192(11) 0.2342(3) 0.0304(8) Uani d . 1 . . O
O3 0.9234(3) -0.01352(10) 0.3404(3) 0.0305(8) Uani d . 1 . . O
O4 0.9016(4) 0.20196(11) 0.1017(4) 0.0336(8) Uani d . 1 . . O
O5 0.9319(3) 0.19761(11) 0.5047(4) 0.0298(8) Uani d . 1 . . O
O6 0.7178(3) 0.29158(10) 0.2805(3) 0.0254(7) Uani d . 1 . . O
O7 0.6672(3) 0.12867(9) 0.2469(3) 0.0184(6) Uani d . 1 . . O
H7O 0.614(6) 0.121(2) 0.189(6) 0.044(19) Uiso d . 1 . . H
N1 0.8064(4) 0.08676(11) 0.4823(3) 0.0171(7) Uani d . 1 . . N
N2 0.6004(3) 0.04996(11) 0.3286(3) 0.0165(7) Uani d . 1 . . N
N3 0.5453(4) 0.18840(11) 0.3602(3) 0.0176(7) Uani d . 1 . . N
N4 0.5166(4) 0.19858(10) 0.1072(3) 0.0174(8) Uani d . 1 . . N
C1 0.7228(4) 0.05406(13) 0.0945(4) 0.0194(9) Uani d . 1 . . C
C2 0.9284(5) 0.09566(14) 0.2488(4) 0.0213(9) Uani d . 1 . . C
C3 0.8673(4) 0.01789(14) 0.3160(4) 0.0212(9) Uani d . 1 . . C
C4 0.8243(5) 0.19801(15) 0.1602(5) 0.0265(10) Uani d . 1 . . C
C5 0.8444(5) 0.19465(13) 0.4134(5) 0.0207(9) Uani d . 1 . . C
C6 0.7109(4) 0.25487(14) 0.2736(4) 0.0189(9) Uani d . 1 . . C
C7 0.9200(4) 0.10058(14) 0.5611(4) 0.0216(9) Uani d . 1 . . C
H7 0.9934 0.1027 0.5265 0.026 Uiso calc R 1 . . H
C8 0.9333(5) 0.11177(14) 0.6907(5) 0.0247(10) Uani d . 1 . . C
H8 1.0150 0.1209 0.7435 0.030 Uiso calc R 1 . . H
C9 0.8272(5) 0.10965(14) 0.7436(4) 0.0224(10) Uani d . 1 . . C
C10 0.7113(5) 0.09372(13) 0.6632(4) 0.0208(9) Uani d . 1 . . C
H10 0.6377 0.0903 0.6967 0.025 Uiso calc R 1 . . H
C11 0.7042(4) 0.08296(13) 0.5340(4) 0.0186(9) Uani d . 1 . . C
C12 0.5853(4) 0.06361(12) 0.4462(4) 0.0165(8) Uani d . 1 . . C
C13 0.4713(4) 0.05874(13) 0.4805(4) 0.0196(9) Uani d . 1 . . C
H13 0.4638 0.0694 0.5621 0.024 Uiso calc R 1 . . H
C14 0.3660(4) 0.03823(13) 0.3971(4) 0.0211(9) Uani d . 1 . . C
C15 0.3837(4) 0.02307(14) 0.2792(4) 0.0214(9) Uani d . 1 . . C
H15 0.3158 0.0081 0.2202 0.026 Uiso calc R 1 . . H
C16 0.5008(4) 0.02982(13) 0.2476(4) 0.0196(9) Uani d . 1 . . C
H16 0.5103 0.0198 0.1659 0.024 Uiso calc R 1 . . H
C17 0.8394(5) 0.12219(16) 0.8835(4) 0.0295(11) Uani d . 1 . . C
H17A 0.8822 0.0995 0.9421 0.044 Uiso calc R 1 . . H
H17B 0.7529 0.1272 0.8959 0.044 Uiso calc R 1 . . H
H17C 0.8911 0.1481 0.9037 0.044 Uiso calc R 1 . . H
C18 0.2399(5) 0.03322(16) 0.4316(5) 0.0307(11) Uani d . 1 . . C
H18A 0.1786 0.0547 0.3857 0.046 Uiso calc R 1 . . H
H18B 0.2538 0.0366 0.5264 0.046 Uiso calc R 1 . . H
H18C 0.2045 0.0050 0.4053 0.046 Uiso calc R 1 . . H
C19 0.5664(4) 0.18187(13) 0.4905(4) 0.0165(8) Uani d . 1 . . C
H19 0.6523 0.1841 0.5450 0.020 Uiso calc R 1 . . H
C20 0.4668(4) 0.17210(13) 0.5469(4) 0.0196(9) Uani d . 1 . . C
H20 0.4851 0.1682 0.6390 0.023 Uiso calc R 1 . . H
C21 0.3409(5) 0.16804(14) 0.4704(4) 0.0209(9) Uani d . 1 . . C
C22 0.3195(4) 0.17544(14) 0.3365(4) 0.0212(9) Uani d . 1 . . C
H22 0.2341 0.1733 0.2806 0.025 Uiso calc R 1 . . H
C23 0.4216(4) 0.18593(12) 0.2842(4) 0.0172(8) Uani d . 1 . . C
C24 0.4054(5) 0.19548(12) 0.1429(4) 0.0187(9) Uani d . 1 . . C
C25 0.2854(5) 0.20235(14) 0.0566(4) 0.0215(9) Uani d . 1 . . C
H25 0.2091 0.2004 0.0863 0.026 Uiso calc R 1 . . H
C26 0.2759(5) 0.21226(13) -0.0749(4) 0.0232(10) Uani d . 1 . . C
C27 0.3910(5) 0.21361(13) -0.1110(4) 0.0261(11) Uani d . 1 . . C
H27 0.3888 0.2192 -0.1999 0.031 Uiso calc R 1 . . H
C28 0.5084(5) 0.20709(13) -0.0219(4) 0.0225(10) Uani d . 1 . . C
H28 0.5856 0.2085 -0.0503 0.027 Uiso calc R 1 . . H
C29 0.2305(5) 0.15688(18) 0.5268(5) 0.0335(12) Uani d . 1 . . C
H29A 0.1837 0.1826 0.5383 0.050 Uiso calc R 1 . . H
H29B 0.2642 0.1431 0.6119 0.050 Uiso calc R 1 . . H
H29C 0.1712 0.1376 0.4671 0.050 Uiso calc R 1 . . H
C30 0.1456(6) 0.22050(16) -0.1696(5) 0.0339(12) Uani d . 1 . . C
H30A 0.1569 0.2387 -0.2408 0.051 Uiso calc R 1 . . H
H30B 0.0886 0.2345 -0.1235 0.051 Uiso calc R 1 . . H
H30C 0.1067 0.1936 -0.2060 0.051 Uiso calc R 1 . . H
Re3 0.37483(2) 0.093010(10) 0.89115(2) 0.02158(6) Uani d . 1 . . Re
O8 0.4668(5) 0.10920(15) 0.7886(5) 0.0611(14) Uani d . 1 . . O
O9 0.2276(3) 0.11873(12) 0.8469(4) 0.0397(9) Uani d . 1 . . O
O10 0.3519(4) 0.03912(12) 0.8818(5) 0.0542(13) Uani d . 1 . . O
O11 0.4516(4) 0.10585(11) 1.0507(3) 0.0361(9) Uani d . 1 . . O
O60 -0.0967(9) 0.0157(3) 0.8430(8) 0.050(2) Uiso d P 0.50 . . O
C60 -0.0244(13) 0.0084(4) 0.9482(11) 0.041(3) Uiso d P 0.50 . . C
C61 0.0916(18) 0.0397(6) 0.9980(16) 0.055(4) Uiso d P 0.50 . . C
C62 -0.050(2) -0.0297(7) 1.014(2) 0.078(6) Uiso d P 0.50 . . C
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'
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_site_symmetry_1
_geom_angle
_geom_angle_publ_flag
C2 Re1 C3 . 89.35(19) yes
C2 Re1 C1 . 89.70(19) yes
C3 Re1 C1 . 88.81(18) yes
C2 Re1 O7 . 94.05(16) yes
C3 Re1 O7 . 175.33(15) yes
C1 Re1 O7 . 94.41(15) yes
C2 Re1 N1 . 98.54(16) yes
C3 Re1 N1 . 93.26(16) yes
C1 Re1 N1 . 171.52(16) yes
O7 Re1 N1 . 83.08(12) yes
C2 Re1 N2 . 171.33(16) yes
C3 Re1 N2 . 96.26(16) yes
C1 Re1 N2 . 97.00(16) yes
O7 Re1 N2 . 80.00(12) yes
N1 Re1 N2 . 74.60(13) yes
C6 Re2 C5 . 85.80(18) no
C6 Re2 C4 . 86.80(19) no
C5 Re2 C4 . 86.6(2) no
C6 Re2 O7 . 174.61(16) no
C5 Re2 O7 . 97.78(15) no
C4 Re2 O7 . 97.41(16) no
C6 Re2 N3 . 96.30(16) no
C5 Re2 N3 . 98.47(17) no
C4 Re2 N3 . 174.26(17) no
O7 Re2 N3 . 79.22(13) no
C6 Re2 N4 . 91.58(15) no
C5 Re2 N4 . 171.76(16) no
C4 Re2 N4 . 101.11(18) no
O7 Re2 N4 . 84.32(12) no
N3 Re2 N4 . 74.03(14) no
Re2 O7 Re1 . 139.63(17) yes
Re2 O7 H7O . 116(5) no
Re1 O7 H7O . 96(5) no
C7 N1 C11 . 118.0(4) no
C7 N1 Re1 . 124.6(3) no
C11 N1 Re1 . 117.4(3) no
C16 N2 C12 . 118.0(4) no
C16 N2 Re1 . 124.9(3) no
C12 N2 Re1 . 116.5(3) no
C19 N3 C23 . 118.1(4) no
C19 N3 Re2 . 123.8(3) no
C23 N3 Re2 . 117.7(3) no
C24 N4 C28 . 117.7(4) no
C24 N4 Re2 . 117.8(3) no
C28 N4 Re2 . 124.3(3) no
O1 C1 Re1 . 178.5(4) no
O2 C2 Re1 . 178.1(4) no
O3 C3 Re1 . 179.2(5) no
O4 C4 Re2 . 176.3(4) no
O5 C5 Re2 . 175.0(4) no
O6 C6 Re2 . 179.8(5) no
N1 C7 C8 . 122.3(4) no
N1 C7 H7 . 118.8 no
C8 C7 H7 . 118.8 no
C7 C8 C9 . 120.2(4) no
C7 C8 H8 . 119.9 no
C9 C8 H8 . 119.9 no
C8 C9 C10 . 117.2(4) no
C8 C9 C17 . 120.9(4) no
C10 C9 C17 . 121.8(4) no
C11 C10 C9 . 119.8(4) no
C11 C10 H10 . 120.1 no
C9 C10 H10 . 120.1 no
N1 C11 C10 . 122.3(4) no
N1 C11 C12 . 115.6(4) no
C10 C11 C12 . 122.0(4) no
N2 C12 C13 . 122.1(4) no
N2 C12 C11 . 114.3(4) no
C13 C12 C11 . 123.5(4) no
C12 C13 C14 . 120.8(4) no
C12 C13 H13 . 119.6 no
C14 C13 H13 . 119.6 no
C13 C14 C15 . 116.7(4) no
C13 C14 C18 . 121.6(4) no
C15 C14 C18 . 121.6(4) no
C16 C15 C14 . 120.2(4) no
C16 C15 H15 . 119.9 no
C14 C15 H15 . 119.9 no
N2 C16 C15 . 122.2(4) no
N2 C16 H16 . 118.9 no
C15 C16 H16 . 118.9 no
C9 C17 H17A . 109.5 no
C9 C17 H17B . 109.5 no
H17A C17 H17B . 109.5 no
C9 C17 H17C . 109.5 no
H17A C17 H17C . 109.5 no
H17B C17 H17C . 109.5 no
C14 C18 H18A . 109.5 no
C14 C18 H18B . 109.5 no
H18A C18 H18B . 109.5 no
C14 C18 H18C . 109.5 no
H18A C18 H18C . 109.5 no
H18B C18 H18C . 109.5 no
N3 C19 C20 . 122.1(4) no
N3 C19 H19 . 118.9 no
C20 C19 H19 . 118.9 no
C19 C20 C21 . 120.5(4) no
C19 C20 H20 . 119.7 no
C21 C20 H20 . 119.7 no
C20 C21 C22 . 117.1(4) no
C20 C21 C29 . 122.4(4) no
C22 C21 C29 . 120.5(4) no
C21 C22 C23 . 120.6(4) no
C21 C22 H22 . 119.7 no
C23 C22 H22 . 119.7 no
N3 C23 C22 . 121.6(4) no
N3 C23 C24 . 114.9(4) no
C22 C23 C24 . 123.5(4) no
N4 C24 C25 . 122.6(4) no
N4 C24 C23 . 114.8(4) no
C25 C24 C23 . 122.6(4) no
C24 C25 C26 . 120.2(4) no
C24 C25 H25 . 119.9 no
C26 C25 H25 . 119.9 no
C27 C26 C25 . 116.4(4) no
C27 C26 C30 . 123.0(4) no
C25 C26 C30 . 120.7(5) no
C28 C27 C26 . 121.7(4) no
C28 C27 H27 . 119.2 no
C26 C27 H27 . 119.2 no
N4 C28 C27 . 121.4(4) no
N4 C28 H28 . 119.3 no
C27 C28 H28 . 119.3 no
C21 C29 H29A . 109.5 no
C21 C29 H29B . 109.5 no
H29A C29 H29B . 109.5 no
C21 C29 H29C . 109.5 no
H29A C29 H29C . 109.5 no
H29B C29 H29C . 109.5 no
C26 C30 H30A . 109.5 no
C26 C30 H30B . 109.5 no
H30A C30 H30B . 109.5 no
C26 C30 H30C . 109.5 no
H30A C30 H30C . 109.5 no
H30B C30 H30C . 109.5 no
O11 Re3 O10 . 108.3(2) no
O11 Re3 O9 . 108.71(19) no
O10 Re3 O9 . 110.23(19) no
O11 Re3 O8 . 110.1(2) no
O10 Re3 O8 . 110.8(2) no
O9 Re3 O8 . 108.6(2) no
C62 C60 O60 3_557 118.4(18) ?
O60 C60 C62 . 116.6(17) ?
O60 C60 C61 . 116.8(11) ?
C62 C60 C61 . 126.6(16) ?
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Re1 C1 . 1.936(4) yes
Re1 C2 . 1.905(5) yes
Re1 C3 . 1.920(5) yes
Re1 N1 . 2.169(4) yes
Re1 N2 . 2.186(4) yes
Re1 O7 . 2.155(3) yes
Re2 C4 . 1.925(5) no
Re2 C5 . 1.915(5) no
Re2 C6 . 1.900(5) no
Re2 N3 . 2.175(4) no
Re2 N4 . 2.196(4) no
Re2 O7 . 2.127(3) yes
O1 C1 . 1.145(5) no
O2 C2 . 1.177(6) no
O3 C3 . 1.154(6) no
O4 C4 . 1.162(6) no
O5 C5 . 1.158(6) no
O6 C6 . 1.165(5) no
O7 H7O . 0.76(7) no
N1 C7 . 1.352(6) no
N1 C11 . 1.349(6) no
N2 C16 . 1.339(5) no
N2 C12 . 1.366(5) no
N3 C19 . 1.353(5) no
N3 C23 . 1.357(6) no
N4 C24 . 1.341(6) no
N4 C28 . 1.372(6) no
C7 C8 . 1.386(6) no
C7 H7 . 0.95 no
C8 C9 . 1.391(7) no
C8 H8 . 0.95 no
C9 C10 . 1.399(6) no
C9 C17 . 1.505(6) no
C10 C11 . 1.391(6) no
C10 H10 . 0.95 no
C11 C12 . 1.493(6) no
C12 C13 . 1.368(6) no
C13 C14 . 1.395(6) no
C13 H13 . 0.95 no
C14 C15 . 1.395(6) no
C14 C18 . 1.494(7) no
C15 C16 . 1.393(6) no
C15 H15 . 0.95 no
C16 H16 . 0.95 no
C17 H17A . 0.98 no
C17 H17B . 0.98 no
C17 H17C . 0.98 no
C18 H18A . 0.98 no
C18 H18B . 0.98 no
C18 H18C . 0.98 no
C19 C20 . 1.385(6) no
C19 H19 . 0.95 no
C20 C21 . 1.381(7) no
C20 H20 . 0.95 no
C21 C22 . 1.393(6) no
C21 C29 . 1.498(6) no
C22 C23 . 1.387(6) no
C22 H22 . 0.95 no
C23 C24 . 1.490(6) no
C24 C25 . 1.382(6) no
C25 C26 . 1.402(6) no
C25 H25 . 0.95 no
C26 C27 . 1.380(7) no
C26 C30 . 1.509(7) no
C27 C28 . 1.372(7) no
C27 H27 . 0.95 no
C28 H28 . 0.95 no
C29 H29A . 0.98 no
C29 H29B . 0.98 no
C29 H29C . 0.98 no
C30 H30A . 0.98 no
C30 H30B . 0.98 no
C30 H30C . 0.98 no
Re3 O11 . 1.720(3) no
Re3 O10 . 1.722(4) no
Re3 O9 . 1.724(3) no
Re3 O8 . 1.722(4) no
O60 C60 . 1.199(15) ?
C60 C62 . 1.45(3) ?
C60 C61 . 1.56(2) ?
