#------------------------------------------------------------------------------
#$Date: 2016-02-19 16:29:56 +0200 (Fri, 19 Feb 2016) $
#$Revision: 176759 $
#$URL: svn://www.crystallography.net/cod/cif/2/00/83/2008313.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_2008313
loop_
_publ_author_name
'Bélanger, Suzanne'
'Beauchamp, André L.'
_publ_section_title
;
 μ-Oxo-bis{bis[2,2'-bi(1H-imidazole-N³)]oxorhenium(V)}
 tetrachloride hexahydrate
;
_journal_issue                   4
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              517
_journal_page_last               521
_journal_paper_doi               10.1107/S010827019801511X
_journal_volume                  55
_journal_year                    1999
_chemical_formula_analytical     '[Re2O3(C6H6N4)4]Cl4.6H2O'
_chemical_formula_iupac          '[Re2 O3 (C6 H6 N4)4] Cl4, 6H2 O1'
_chemical_formula_moiety         'C24 H24 N16 O3 Re2, Cl4, 6H2 O'
_chemical_formula_sum            'C24 H36 Cl4 N16 O9 Re2'
_chemical_formula_weight         1206.88
_chemical_name_systematic
;
μ-Oxo-bis-[bis-(2,2'-bi(1H-imidazole-N³))-oxo-rhenium(V)]tetrachloride
hexahydrate,
[{ReO(C₆H₄N₂)₂}₂O]Cl₄^.^6H₂O.
;
_space_group_IT_number           37
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  'C 2 -2c'
_symmetry_space_group_name_H-M   'C c c 2'
_audit_creation_method           'SHELXL-93 (Sheldrick,1993)'
_cell_angle_alpha                90.
_cell_angle_beta                 90.
_cell_angle_gamma                90.
_cell_formula_units_Z            4
_cell_length_a                   13.855(4)
_cell_length_b                   21.573(6)
_cell_length_c                   13.163(4)
_cell_measurement_reflns_used    25
_cell_measurement_temperature    295(2)
_cell_measurement_theta_max      25
_cell_measurement_theta_min      20
_cell_volume                     3934(2)
_computing_cell_refinement       'CAD-4 Software'
_computing_data_collection       'CAD-4 Software (Enraf-Nonius, 1989)'
_computing_data_reduction
'NRC Crystallographic Computer Programs (Ahmed et al., 1973)'
_computing_molecular_graphics
'ORTEPII (Johnson, 1976) in the NRCVAX package (Gabe et al., 1989)'
_computing_publication_material  SHELXL93
_computing_structure_refinement  'SHELXL93 (Sheldrick, 1993)'
_computing_structure_solution    'SHELXS86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      295(2)
_diffrn_measurement_device       'Enraf-Nonius CAD-4'
_diffrn_measurement_method       θ/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_av_R_equivalents  0.058
_diffrn_reflns_av_sigmaI/netI    0.066
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       26
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            13752
_diffrn_reflns_theta_max         69.9
_diffrn_reflns_theta_min         3.8
_diffrn_standards_decay_%        1.3
_diffrn_standards_interval_time  60
_diffrn_standards_number         5
_exptl_absorpt_coefficient_mu    14.6
_exptl_absorpt_correction_T_max  0.51
_exptl_absorpt_correction_T_min  0.16
_exptl_absorpt_correction_type   'integration (Gabe et al., 1989)'
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.037
_exptl_crystal_density_meas      ?
_exptl_crystal_description       plate
_exptl_crystal_F_000             2328
_exptl_crystal_size_max          0.23
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.05
_refine_diff_density_max         0.75
_refine_diff_density_min         -0.96
_refine_ls_abs_structure_details 'Flack (1983)'
_refine_ls_abs_structure_Flack   0.30(2)
_refine_ls_extinction_coef       1.06E-4(8)
_refine_ls_extinction_method     'SHELXL93 (Sheldrick, 1993)'
_refine_ls_goodness_of_fit_all   0.60
_refine_ls_goodness_of_fit_obs   0.68
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     256
_refine_ls_number_reflns         3751
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.60
_refine_ls_restrained_S_obs      0.68
_refine_ls_R_factor_all          0.051
_refine_ls_R_factor_obs          0.030
_refine_ls_shift/esd_max         -0.04
_refine_ls_shift/esd_mean        0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[σ²(Fo²)+(0.080P)²] where P = (Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.086
_refine_ls_wR_factor_obs         0.075
_reflns_number_observed          2332
_reflns_number_total             3751
_reflns_observed_criterion       I>2\s(I)
_cod_data_source_file            bk1428.cif
_cod_data_source_block           bk1428
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Orthorhombic' changed to 'orthorhombic'
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:

'_geom_angle_publ_flag' value 'Y' changed to 'y' 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 'none' 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 

The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc w =
1/[\s^2^(Fo^2^)+(0.080P)^2^] where P = (Fo^2^+2Fc^2^)/3' was changed
to 'calc'. New tag '_refine_ls_weighting_details' was created. The
value of the new tag was set to 'w = 1/[\s^2^(Fo^2^)+(0.080P)^2^]
where P = (Fo^2^+2Fc^2^)/3'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_database_code               2008313
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, z+1/2'
'x, -y, z+1/2'
'-x, -y, z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, z+1/2'
'x+1/2, -y+1/2, z+1/2'
'-x+1/2, -y+1/2, z'
loop_
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_thermal_displace_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_disorder_group
_atom_site_type_symbol
Re1 0.7500 0.7500 1.14497(2) 0.0231(2) Uani d S 1 . Re
Re2 0.7500 0.7500 0.85511(3) 0.0306(2) Uani d S 1 . Re
O1 0.7500 0.7500 1.2704(13) 0.040(4) Uani d S 1 . O
O2 0.7500 0.7500 0.7229(13) 0.033(4) Uani d S 1 . O
O3 0.7500 0.7500 0.999(2) 0.0284(12) Uani d S 1 . O
N11 0.9986(6) 0.6434(3) 1.1239(6) 0.032(2) Uani d . 1 . N
H11 1.0225(6) 0.6066(3) 1.1210(6) 0.039 Uiso calc R 1 . H
C21 0.9050(7) 0.6575(5) 1.1285(9) 0.031(2) Uani d . 1 . C
N31 0.8944(6) 0.7199(3) 1.1334(6) 0.024(2) Uani d . 1 . N
C41 0.9865(6) 0.7452(4) 1.1315(7) 0.031(2) Uani d . 1 . C
H41 1.0014(6) 0.7872(4) 1.1345(7) 0.037 Uiso calc R 1 . H
C51 1.0508(7) 0.6983(5) 1.1245(8) 0.031(2) Uani d . 1 . C
H51 1.1176(7) 0.7021(5) 1.1209(8) 0.037 Uiso calc R 1 . H
N12 0.8008(6) 0.5616(3) 1.1250(8) 0.041(2) Uani d . 1 . N
H12 0.8431(6) 0.5325(3) 1.1220(8) 0.049 Uiso calc R 1 . H
C22 0.8187(7) 0.6217(4) 1.1288(7) 0.027(2) Uani d . 1 . C
N32 0.7358(5) 0.6524(3) 1.1340(7) 0.031(2) Uani d . 1 . N
C42 0.6639(8) 0.6094(4) 1.1327(9) 0.046(3) Uani d . 1 . C
H42 0.5982(8) 0.6181(4) 1.1356(9) 0.056 Uiso calc R 1 . H
C52 0.7019(8) 0.5537(5) 1.1268(10) 0.048(3) Uani d . 1 . C
H52 0.6687(8) 0.5163(5) 1.1242(10) 0.057 Uiso calc R 1 . H
N13 1.0473(7) 0.7313(4) 0.8764(7) 0.039(2) Uani d . 1 . N
H13 1.0949(7) 0.7058(4) 0.8791(7) 0.047 Uiso calc R 1 . H
C23 0.9546(8) 0.7159(4) 0.8712(8) 0.035(2) Uani d . 1 . C
N33 0.9003(6) 0.7677(4) 0.8666(9) 0.036(2) Uani d . 1 . N
C43 0.9622(8) 0.8164(5) 0.8712(8) 0.043(2) Uani d . 1 . C
H43 0.9447(8) 0.8580(5) 0.8708(8) 0.051 Uiso calc R 1 . H
C53 1.0542(8) 0.7943(5) 0.8767(10) 0.047(3) Uani d . 1 . C
H53 1.1106(8) 0.8176(5) 0.8800(10) 0.057 Uiso calc R 1 . H
N14 0.9351(6) 0.5995(4) 0.8743(7) 0.050(2) Uani d . 1 . N
H14 0.9940(6) 0.5874(4) 0.8801(7) 0.060 Uiso calc R 1 . H
C24 0.9047(7) 0.6586(4) 0.8693(10) 0.034(2) Uani d . 1 . C
N34 0.8087(6) 0.6587(3) 0.8633(6) 0.034(2) Uani d . 1 . N
C44 0.7765(7) 0.5984(5) 0.8639(8) 0.039(2) Uani d . 1 . C
H44 0.7126(7) 0.5854(5) 0.8616(8) 0.046 Uiso calc R 1 . H
C54 0.8548(9) 0.5618(4) 0.8684(10) 0.055(3) Uani d . 1 . C
H54 0.8548(9) 0.5187(4) 0.8677(10) 0.066 Uiso calc R 1 . H
Cl1 1.0000 0.5000 1.0834(4) 0.073(2) Uani d S 1 . Cl
Cl2 1.1622(2) 0.60751(12) 0.8796(3) 0.0531(7) Uani d . 1 . Cl
Cl3 1.4132(3) 0.5983(2) 1.1381(4) 0.0726(14) Uani d P 0.50 . Cl
O30 1.4132(3) 0.5983(2) 1.1381(4) 0.0726(14) Uani d P 0.50 . O
O10 1.1964(8) 0.5860(5) 1.1156(8) 0.084(3) Uani d . 1 . O
O20a 1.378(5) 0.564(2) 0.925(5) 0.080(7) Uani d P 0.50 . O
O20b 1.376(5) 0.543(2) 0.910(5) 0.080(7) Uani d P 0.50 . O
O40 0.5000 0.5000 1.2737(13) 0.108(6) Uani d S 1 . O
loop_
_atom_type_symbol
_atom_type_description
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_source
Re Re -5.7900 5.8910 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Cl Cl 0.3639 0.7018 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
O O 0.0492 0.0322 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
N N 0.0311 0.0180 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
C C 0.0181 0.0091 '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'
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_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
O1 Re1 O3 . . 180.0 y
O1 Re1 N31 . 8_665 94.1(2) ?
O3 Re1 N31 . 8_665 85.9(2) ?
O1 Re1 N31 . . 94.1(2) y
O3 Re1 N31 . . 85.9(2) y
O1 Re1 N32 . . 93.9(2) y
O3 Re1 N32 . . 86.1(2) y
N31 Re1 N31 8_665 . 171.7(5) y
N31 Re1 N32 8_665 . 102.3(3) y
N31 Re1 N32 . . 77.2(3) y
O1 Re1 N32 . 8_665 93.9(2) ?
O3 Re1 N32 . 8_665 86.1(2) ?
N31 Re1 N32 8_665 8_665 77.2(3) ?
N31 Re1 N32 . 8_665 102.3(3) ?
N32 Re1 N32 . 8_665 172.2(5) y
Re1 O3 Re2 . . 180.0 y
O2 Re2 O3 . . 180.0 y
O2 Re2 N33 . . 94.1(3) y
O3 Re2 N33 . . 85.9(3) y
O2 Re2 N34 . . 92.9(2) y
O3 Re2 N34 . . 87.1(2) y
O2 Re2 N33 . 8_665 94.1(3) ?
O3 Re2 N33 . 8_665 85.9(3) ?
O2 Re2 N34 . 8_665 92.9(2) ?
O3 Re2 N34 . 8_665 87.1(2) ?
N33 Re2 N33 . 8_665 171.8(6) y
N33 Re2 N34 . 8_665 101.8(3) y
N33 Re2 N34 8_665 8_665 77.8(3) y
N33 Re2 N34 . . 77.8(3) ?
N33 Re2 N34 8_665 . 101.8(3) ?
N34 Re2 N34 8_665 . 174.2(5) y
C21 N11 C51 . . 108.2(8) ?
C21 N11 H11 . . 125.9(5) ?
C51 N11 H11 . . 125.9(5) ?
N11 C21 N31 . . 109.5(9) ?
N11 C21 C22 . . 133.9(9) ?
N31 C21 C22 . . 116.6(8) ?
C21 N31 C41 . . 106.8(8) ?
C21 N31 Re1 . . 114.3(6) ?
C41 N31 Re1 . . 138.8(6) ?
C51 C41 N31 . . 108.2(8) ?
C51 C41 H41 . . 125.9(5) ?
N31 C41 H41 . . 125.9(5) ?
C41 C51 N11 . . 107.2(8) ?
C41 C51 H51 . . 126.4(5) ?
N11 C51 H51 . . 126.4(5) ?
C22 N12 C52 . . 107.9(9) ?
C22 N12 H12 . . 126.1(6) ?
C52 N12 H12 . . 126.1(6) ?
N12 C22 N32 . . 109.2(9) ?
N12 C22 C21 . . 133.7(9) ?
N32 C22 C21 . . 117.1(8) ?
C22 N32 C42 . . 107.0(8) ?
C22 N32 Re1 . . 114.8(6) ?
C42 N32 Re1 . . 138.2(6) ?
C52 C42 N32 . . 109.3(10) ?
C52 C42 H42 . . 125.4(7) ?
N32 C42 H42 . . 125.4(5) ?
C42 C52 N12 . . 106.7(10) ?
C42 C52 H52 . . 126.7(7) ?
N12 C52 H52 . . 126.7(6) ?
C23 N13 C53 . . 108.5(8) ?
C23 N13 H13 . . 125.7(5) ?
C53 N13 H13 . . 125.7(6) ?
N13 C23 N33 . . 109.6(10) ?
N13 C23 C24 . . 133.7(9) ?
N33 C23 C24 . . 116.7(10) ?
C23 N33 C43 . . 106.7(9) ?
C23 N33 Re2 . . 113.7(8) ?
C43 N33 Re2 . . 139.6(7) ?
N33 C43 C53 . . 108.8(9) ?
N33 C43 H43 . . 125.6(6) ?
C53 C43 H43 . . 125.6(6) ?
N13 C53 C43 . . 106.4(10) ?
N13 C53 H53 . . 126.8(6) ?
C43 C53 H53 . . 126.8(6) ?
C24 N14 C54 . . 107.7(9) ?
C24 N14 H14 . . 126.1(6) ?
C54 N14 H14 . . 126.1(5) ?
N34 C24 N14 . . 108.4(9) ?
N34 C24 C23 . . 119.2(8) ?
N14 C24 C23 . . 132.4(10) ?
C24 N34 C44 . . 108.8(8) ?
C24 N34 Re2 . . 112.6(6) ?
C44 N34 Re2 . . 138.6(7) ?
C54 C44 N34 . . 107.2(9) ?
C54 C44 H44 . . 126.4(7) ?
N34 C44 H44 . . 126.4(5) ?
C44 C54 N14 . . 107.8(8) ?
C44 C54 H54 . . 126.1(7) ?
N14 C54 H54 . . 126.1(5) ?
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 O1 . 1.65(2) y
Re1 O3 . 1.92(3) y
Re1 N31 8_665 2.108(8) ?
Re1 N31 . 2.108(8) y
Re1 N32 . 2.119(7) y
Re1 N32 8_665 2.119(7) ?
Re2 O2 . 1.74(2) y
Re2 O3 . 1.89(3) y
Re2 N33 . 2.122(9) y
Re2 N33 8_665 2.122(8) ?
Re2 N34 8_665 2.134(7) ?
Re2 N34 . 2.134(7) y
N11 C21 . 1.333(11) ?
N11 C51 . 1.388(11) ?
N11 H11 . 0.86 ?
C21 N31 . 1.357(11) ?
C21 C22 . 1.423(12) ?
N31 C41 . 1.388(11) ?
C41 C51 . 1.351(11) ?
C41 H41 . 0.93 ?
C51 H51 . 0.93 ?
N12 C22 . 1.322(11) ?
N12 C52 . 1.380(13) ?
N12 H12 . 0.86 ?
C22 N32 . 1.328(11) ?
N32 C42 . 1.362(11) ?
C42 C52 . 1.314(14) ?
C42 H42 . 0.93 ?
C52 H52 . 0.93 ?
N13 C23 . 1.329(13) ?
N13 C53 . 1.362(13) ?
N13 H13 . 0.86 ?
C23 N33 . 1.347(11) ?
C23 C24 . 1.415(13) ?
N33 C43 . 1.359(12) ?
C43 C53 . 1.364(14) ?
C43 H43 . 0.93 ?
C53 H53 . 0.93 ?
N14 C24 . 1.345(10) ?
N14 C54 . 1.381(13) ?
N14 H14 . 0.86 ?
C24 N34 . 1.334(13) ?
N34 C44 . 1.374(12) ?
C44 C54 . 1.343(13) ?
C44 H44 . 0.93 ?
C54 H54 . 0.93 ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_site_symmetry_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
N11 H11 Cl1 . 0.86 2.37 3.139(7) 149
N12 H12 Cl1 . 0.86 2.34 3.112(8) 150
N13 H13 Cl2 . 0.86 2.32 3.109(9) 153
N14 H14 Cl2 . 0.86 2.37 3.152(10) 151
N11 H11 O10 . 0.86 2.45 3.010(13) 123
N12 H12 O10 4_765 0.86 2.62 3.186(13) 125
O20a ? Cl2 . ? ? 3.20(7) ?
O20b ? Cl2 . ? ? 3.30(7) ?
O20a ? O30 . ? ? 2.94(7) ?
O20b ? Cl3 . ? ? 3.27(6) ?
Cl3 ? O40 1_655 ? ? 3.021(11) ?
O30 ? O40 1_655 ? ? 3.021(11) ?
O10 ? Cl3 . ? ? 3.029(12) ?
O10 ? O30 . ? ? 3.029(12) ?
O10 ? Cl1 . ? ? 3.321(12) ?
O10 ? Cl2 . ? ? 3.176(10) ?
O20a ? Cl2 . ? ? 3.20(7) ?
O20b ? Cl2 . ? ? 3.30(7) ?
O20a ? O40 3_664 ? ? 2.95(5) ?
O20b ? O40 3_664 ? ? 2.65(6) ?
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_site_symmetry_1
_geom_torsion
C51 N11 C21 N31 . -0.8(12)
C51 N11 C21 C22 . 179.0(12)
N11 C21 N31 C41 . 0.1(12)
C22 C21 N31 C41 . -179.6(9)
N11 C21 N31 Re1 . -178.5(7)
C22 C21 N31 Re1 . 1.7(12)
O1 Re1 N31 C21 . 91.2(7)
O3 Re1 N31 C21 . -88.8(7)
N31 Re1 N31 C21 8_665 -88.8(7)
N32 Re1 N31 C21 . -1.9(7)
N32 Re1 N31 C21 8_665 -173.9(7)
O1 Re1 N31 C41 . -86.9(10)
O3 Re1 N31 C41 . 93.1(10)
N31 Re1 N31 C41 8_665 93.2(10)
N32 Re1 N31 C41 . -179.9(11)
N32 Re1 N31 C41 8_665 8.0(11)
C21 N31 C41 C51 . 0.6(12)
Re1 N31 C41 C51 . 178.7(8)
N31 C41 C51 N11 . -1.0(12)
C21 N11 C51 C41 . 1.1(12)
C52 N12 C22 N32 . 0.7(13)
C52 N12 C22 C21 . -179.4(12)
N11 C21 C22 N12 . 0.(2)
N31 C21 C22 N12 . -180.0(10)
N11 C21 C22 N32 . -179.8(12)
N31 C21 C22 N32 . -0.1(14)
N12 C22 N32 C42 . -0.4(11)
C21 C22 N32 C42 . 179.7(10)
N12 C22 N32 Re1 . 178.3(7)
C21 C22 N32 Re1 . -1.6(11)
O1 Re1 N32 C22 . -91.5(7)
O3 Re1 N32 C22 . 88.5(7)
N31 Re1 N32 C22 8_665 173.4(7)
N31 Re1 N32 C22 . 1.9(7)
N32 Re1 N32 C22 8_665 88.5(7)
O1 Re1 N32 C42 . 86.7(11)
O3 Re1 N32 C42 . -93.3(11)
N31 Re1 N32 C42 8_665 -8.4(12)
N31 Re1 N32 C42 . -179.9(12)
N32 Re1 N32 C42 8_665 -93.3(11)
C22 N32 C42 C52 . 0.0(13)
Re1 N32 C42 C52 . -178.4(9)
N32 C42 C52 N12 . 0.5(14)
C22 N12 C52 C42 . -0.7(15)
C53 N13 C23 N33 . 0.9(13)
C53 N13 C23 C24 . -179.4(13)
N13 C23 N33 C43 . -1.3(13)
C24 C23 N33 C43 . 178.9(10)
N13 C23 N33 Re2 . 178.9(7)
C24 C23 N33 Re2 . -0.9(13)
O2 Re2 N33 C23 . -91.0(8)
O3 Re2 N33 C23 . 89.0(8)
N33 Re2 N33 C23 8_665 89.0(8)
N34 Re2 N33 C23 8_665 175.1(8)
N34 Re2 N33 C23 . 1.1(8)
O2 Re2 N33 C43 . 89.2(13)
O3 Re2 N33 C43 . -90.8(13)
N33 Re2 N33 C43 8_665 -90.8(13)
N34 Re2 N33 C43 8_665 -4.6(14)
N34 Re2 N33 C43 . -178.7(14)
C23 N33 C43 C53 . 1.2(14)
Re2 N33 C43 C53 . -179.1(10)
C23 N13 C53 C43 . -0.2(13)
N33 C43 C53 N13 . -0.6(14)
C54 N14 C24 N34 . 1.6(15)
C54 N14 C24 C23 . -179.7(13)
N13 C23 C24 N34 . -179.8(11)
N33 C23 C24 N34 . -0.1(17)
N13 C23 C24 N14 . 2.(2)
N33 C23 C24 N14 . -178.7(13)
N14 C24 N34 C44 . -0.3(14)
C23 C24 N34 C44 . -179.2(10)
N14 C24 N34 Re2 . 179.9(8)
C23 C24 N34 Re2 . 1.0(14)
O2 Re2 N34 C24 . 92.5(8)
O3 Re2 N34 C24 . -87.5(8)
N33 Re2 N34 C24 . -1.1(8)
N33 Re2 N34 C24 8_665 -172.8(8)
N34 Re2 N34 C24 8_665 -87.5(8)
O2 Re2 N34 C44 . -87.2(11)
O3 Re2 N34 C44 . 92.8(11)
N33 Re2 N34 C44 . 179.2(11)
N33 Re2 N34 C44 8_665 7.6(12)
N34 Re2 N34 C44 8_665 92.8(11)
C24 N34 C44 C54 . -1.1(13)
Re2 N34 C44 C54 . 178.5(9)
N34 C44 C54 N14 . 2.1(14)
C24 N14 C54 C44 . -2.4(15)
