#------------------------------------------------------------------------------
#$Date: 2016-03-23 15:37:02 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179338 $
#$URL: svn://www.crystallography.net/cod/cif/4/32/35/4323535.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_4323535
loop_
_publ_author_name
'Suzanne Bélanger'
'André L. Beauchamp'
_publ_section_title
;
 Oxo Ligand Reactivity in the [ReO2L4]+ Complex of 1-Methylimidazole.
 Preparation and Crystal Structures of Salts Containing the ReOL43+ Core
 and Apical CH3O-, BF3O2-, and (CH3O)2PO2- Groups
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3640
_journal_page_last               3647
_journal_paper_doi               10.1021/ic970067w
_journal_volume                  36
_journal_year                    1997
_chemical_formula_sum            'C16 H24 B F3 I3 N8 O2 Re'
_chemical_formula_weight         995.15
_chemical_name_systematic
; 
 ? 
;
_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   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           'SHELXL-93 (Sheldrick,1995)'
_cell_angle_alpha                90.00(2)
_cell_angle_beta                 103.67(3)
_cell_angle_gamma                90.00(2)
_cell_formula_units_Z            4
_cell_length_a                   13.373(4)
_cell_length_b                   13.237(3)
_cell_length_c                   16.689(6)
_cell_measurement_temperature    295(2)
_cell_volume                     2870.6(15)
_computing_structure_refinement  'SHELXL-93 (Sheldrick, 1995)'
_computing_structure_solution    'SHELXS-86 (Sheldrick, 1985)'
_diffrn_ambient_temperature      295(2)
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'normal-focus sealed tube'
_diffrn_radiation_wavelength     1.54056
_diffrn_reflns_av_sigmaI/netI    0.0896
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -20
_diffrn_reflns_theta_max         69.82
_diffrn_reflns_theta_min         3.40
_exptl_crystal_density_diffrn    2.303
_exptl_crystal_F_000             1832
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.04
_refine_diff_density_max         2.108
_refine_diff_density_min         -1.339
_refine_diff_density_rms         0.157
_refine_ls_extinction_coef       0.00030(2)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc²λ³/sin(2θ)]^-1/4^
_refine_ls_extinction_method     'SHELXL-93 (Sheldrick,1995)'
_refine_ls_goodness_of_fit_all   0.877
_refine_ls_goodness_of_fit_obs   1.039
_refine_ls_matrix_type           full
_refine_ls_number_parameters     312
_refine_ls_number_reflns         5427
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.877
_refine_ls_restrained_S_obs      1.039
_refine_ls_R_factor_all          0.0759
_refine_ls_R_factor_obs          0.0445
_refine_ls_shift/esd_max         0.081
_refine_ls_shift/esd_mean        0.004
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[σ²(Fo²)+(0.0299P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.1007
_refine_ls_wR_factor_obs         0.0939
_reflns_number_observed          3470
_reflns_number_total             5427
_reflns_observed_criterion       >2sigma(I)
_cod_data_source_file            ic970067w_3.cif
_cod_data_source_block           III
_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value 'calc
w=1/[\s^2^(Fo^2^)+(0.0299P)^2^+0.0000P] 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^)+(0.0299P)^2^+0.0000P] 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               4323535
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_type_symbol
_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_occupancy
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_group
Re Re 0.43876(2) 0.16332(3) 0.85820(3) 0.03609(11) Uani 1 d . .
O1 O 0.4531(4) 0.1281(5) 0.9581(4) 0.048(2) Uani 1 d . .
O2 O 0.4215(4) 0.2018(5) 0.7504(4) 0.0442(15) Uani 1 d . .
B2 B 0.3999(8) 0.2302(10) 0.6641(8) 0.050(3) Uani 1 d . .
F22 F 0.4795(5) 0.1993(6) 0.6295(4) 0.078(2) Uani 1 d . .
F21 F 0.3848(5) 0.3306(5) 0.6534(4) 0.078(2) Uani 1 d . .
F23 F 0.3103(5) 0.1794(5) 0.6219(4) 0.077(2) Uani 1 d . .
N11 N 0.6016(6) 0.4192(7) 0.9751(7) 0.059(2) Uani 1 d . .
C21 C 0.5590(6) 0.3266(8) 0.9711(7) 0.054(3) Uani 1 d . .
H21 H 0.5591(6) 0.2861(8) 1.0167(7) 0.064 Uiso 1 calc R .
N31 N 0.5178(5) 0.3012(6) 0.8952(5) 0.041(2) Uani 1 d . .
C41 C 0.5350(9) 0.3789(8) 0.8466(8) 0.068(3) Uani 1 d . .
H41 H 0.5153(9) 0.3815(8) 0.7893(8) 0.081 Uiso 1 calc R .
C51 C 0.5867(9) 0.4526(9) 0.8978(9) 0.074(4) Uani 1 d . .
H51 H 0.6077(9) 0.5148(9) 0.8815(9) 0.089 Uiso 1 calc R .
C61 C 0.6595(9) 0.4705(9) 1.0503(9) 0.088(4) Uani 1 d . .
H61A H 0.7289(23) 0.4456(52) 1.0644(35) 0.132 Uiso 1 calc R .
H61B H 0.6273(43) 0.4573(58) 1.0948(16) 0.132 Uiso 1 calc R .
H61C H 0.6601(60) 0.5420(12) 1.0406(20) 0.132 Uiso 1 calc R .
N12 N 0.1751(5) 0.3083(7) 0.9054(6) 0.057(2) Uani 1 d . .
C22 C 0.2601(6) 0.2513(8) 0.9248(6) 0.049(2) Uani 1 d . .
H22 H 0.2880(6) 0.2233(8) 0.9763(6) 0.059 Uiso 1 calc R .
N32 N 0.2977(5) 0.2415(6) 0.8592(5) 0.044(2) Uani 1 d . .
C42 C 0.2346(8) 0.2925(9) 0.7967(7) 0.064(3) Uani 1 d . .
H42 H 0.2422(8) 0.2969(9) 0.7429(7) 0.077 Uiso 1 calc R .
C52 C 0.1599(7) 0.3352(10) 0.8254(8) 0.070(3) Uani 1 d . .
H52 H 0.1073(7) 0.3760(10) 0.7960(8) 0.084 Uiso 1 calc R .
C62 C 0.1084(8) 0.3359(12) 0.9616(9) 0.097(5) Uani 1 d . .
H62A H 0.1421(36) 0.3178(73) 1.0171(13) 0.146 Uiso 1 calc R .
H62B H 0.0442(33) 0.3004(61) 0.9454(41) 0.146 Uiso 1 calc R .
H62C H 0.0958(65) 0.4074(17) 0.9585(48) 0.146 Uiso 1 calc R .
N13 N 0.2459(7) -0.0795(7) 0.7511(7) 0.067(3) Uani 1 d . .
C23 C 0.2764(7) 0.0159(8) 0.7581(8) 0.060(3) Uani 1 d . .
H23 H 0.2437(7) 0.0682(8) 0.7248(8) 0.073 Uiso 1 calc R .
N33 N 0.3585(5) 0.0270(6) 0.8181(5) 0.041(2) Uani 1 d . .
C43 C 0.3814(7) -0.0682(8) 0.8501(8) 0.060(3) Uani 1 d . .
H43 H 0.4364(7) -0.0846(8) 0.8937(8) 0.072 Uiso 1 calc R .
C53 C 0.3126(8) -0.1327(9) 0.8091(8) 0.068(3) Uani 1 d . .
H53 H 0.3105(8) -0.2019(9) 0.8185(8) 0.082 Uiso 1 calc R .
C63 C 0.1570(9) -0.1202(11) 0.6914(10) 0.100(5) Uani 1 d . .
H63A H 0.1192(46) -0.1644(63) 0.7190(15) 0.150 Uiso 1 calc R .
H63B H 0.1801(10) -0.1572(68) 0.6496(37) 0.150 Uiso 1 calc R .
H63C H 0.1134(42) -0.0656(12) 0.6662(48) 0.150 Uiso 1 calc R .
N14 N 0.7300(5) 0.0204(6) 0.8919(6) 0.051(2) Uani 1 d . .
C24 C 0.6436(6) 0.0440(8) 0.9144(6) 0.050(3) Uani 1 d . .
H24 H 0.6293(6) 0.0274(8) 0.9647(6) 0.061 Uiso 1 calc R .
N34 N 0.5808(5) 0.0949(6) 0.8540(5) 0.047(2) Uani 1 d . .
C44 C 0.6337(7) 0.1029(9) 0.7936(7) 0.062(3) Uani 1 d . .
H44 H 0.6105(7) 0.1364(9) 0.7437(7) 0.074 Uiso 1 calc R .
C54 C 0.7215(7) 0.0563(9) 0.8165(7) 0.064(3) Uani 1 d . .
H54 H 0.7702(7) 0.0494(9) 0.7852(7) 0.076 Uiso 1 calc R .
C64 C 0.8143(8) -0.0397(9) 0.9430(9) 0.088(5) Uani 1 d . .
H64A H 0.7944(32) -0.0628(64) 0.9916(31) 0.131 Uiso 1 calc R .
H64B H 0.8749(24) 0.0013(25) 0.9587(55) 0.131 Uiso 1 calc R .
H64C H 0.8283(53) -0.0969(44) 0.9120(22) 0.131 Uiso 1 calc R .
I1 I -0.05649(5) 0.34649(7) 0.17375(6) 0.0811(3) Uani 1 d . .
I2 I -0.15144(8) 0.24132(9) 0.02249(8) 0.1107(4) Uani 1 d . .
I3 I 0.03195(6) 0.44850(10) 0.32854(7) 0.1108(4) Uani 1 d . .
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'
I I -0.3257 6.8362 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
F F 0.0727 0.0534 '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'
B B 0.0090 0.0039 '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
_geom_angle_site_symmetry_1
_geom_angle_site_symmetry_3
_geom_angle_publ_flag
O1 Re O2 179.3(3) . . ?
O1 Re N34 91.2(3) . . ?
O2 Re N34 89.5(3) . . ?
O1 Re N33 90.4(3) . . ?
O2 Re N33 89.4(3) . . ?
N34 Re N33 91.0(3) . . ?
O1 Re N31 91.0(3) . . ?
O2 Re N31 89.2(3) . . ?
N34 Re N31 89.3(3) . . ?
N33 Re N31 178.6(3) . . ?
O1 Re N32 91.2(3) . . ?
O2 Re N32 88.1(3) . . ?
N34 Re N32 176.3(3) . . ?
N33 Re N32 91.8(3) . . ?
N31 Re N32 87.8(3) . . ?
B2 O2 Re 175.7(6) . . ?
F21 B2 F22 109.9(10) . . ?
F21 B2 F23 108.8(9) . . ?
F22 B2 F23 107.2(10) . . ?
F21 B2 O2 112.0(10) . . ?
F22 B2 O2 110.1(8) . . ?
F23 B2 O2 108.7(9) . . ?
C51 N11 C21 106.9(10) . . ?
C51 N11 C61 126.8(11) . . ?
C21 N11 C61 126.3(11) . . ?
N31 C21 N11 111.1(10) . . ?
N31 C21 H21 124.4(6) . . ?
N11 C21 H21 124.4(7) . . ?
C21 N31 C41 107.0(9) . . ?
C21 N31 Re 124.9(7) . . ?
C41 N31 Re 128.1(7) . . ?
N31 C41 C51 107.3(11) . . ?
N31 C41 H41 126.4(6) . . ?
C51 C41 H41 126.4(8) . . ?
N11 C51 C41 107.7(10) . . ?
N11 C51 H51 126.1(7) . . ?
C41 C51 H51 126.1(8) . . ?
N11 C61 H61A 109.5(6) . . ?
N11 C61 H61B 109.5(7) . . ?
H61A C61 H61B 109.5 . . ?
N11 C61 H61C 109.5(7) . . ?
H61A C61 H61C 109.5 . . ?
H61B C61 H61C 109.5 . . ?
C22 N12 C52 107.9(8) . . ?
C22 N12 C62 126.1(10) . . ?
C52 N12 C62 126.0(9) . . ?
N32 C22 N12 109.0(9) . . ?
N32 C22 H22 125.5(5) . . ?
N12 C22 H22 125.5(6) . . ?
C22 N32 C42 107.4(8) . . ?
C22 N32 Re 124.2(7) . . ?
C42 N32 Re 128.3(7) . . ?
C52 C42 N32 108.6(11) . . ?
C52 C42 H42 125.7(7) . . ?
N32 C42 H42 125.7(6) . . ?
C42 C52 N12 107.1(10) . . ?
C42 C52 H52 126.5(7) . . ?
N12 C52 H52 126.5(5) . . ?
N12 C62 H62A 109.5(6) . . ?
N12 C62 H62B 109.5(6) . . ?
H62A C62 H62B 109.47(8) . . ?
N12 C62 H62C 109.5(7) . . ?
H62A C62 H62C 109.5 . . ?
H62B C62 H62C 109.5 . . ?
C23 N13 C53 107.3(9) . . ?
C23 N13 C63 126.6(11) . . ?
C53 N13 C63 126.2(10) . . ?
N33 C23 N13 111.1(10) . . ?
N33 C23 H23 124.4(6) . . ?
N13 C23 H23 124.4(6) . . ?
C23 N33 C43 105.3(9) . . ?
C23 N33 Re 127.4(7) . . ?
C43 N33 Re 127.3(6) . . ?
C53 C43 N33 109.1(10) . . ?
C53 C43 H43 125.4(7) . . ?
N33 C43 H43 125.4(5) . . ?
C43 C53 N13 107.2(11) . . ?
C43 C53 H53 126.4(7) . . ?
N13 C53 H53 126.4(6) . . ?
N13 C63 H63A 109.5(8) . . ?
N13 C63 H63B 109.5(7) . . ?
H63A C63 H63B 109.5 . . ?
N13 C63 H63C 109.5(7) . . ?
H63A C63 H63C 109.5 . . ?
H63B C63 H63C 109.5 . . ?
C54 N14 C24 107.3(8) . . ?
C54 N14 C64 128.7(9) . . ?
C24 N14 C64 124.0(10) . . ?
N34 C24 N14 109.9(9) . . ?
N34 C24 H24 125.1(5) . . ?
N14 C24 H24 125.1(6) . . ?
C24 N34 C44 104.6(8) . . ?
C24 N34 Re 126.9(7) . . ?
C44 N34 Re 128.0(7) . . ?
C54 C44 N34 109.6(10) . . ?
C54 C44 H44 125.2(7) . . ?
N34 C44 H44 125.2(5) . . ?
C44 C54 N14 108.5(9) . . ?
C44 C54 H54 125.7(7) . . ?
N14 C54 H54 125.7(5) . . ?
N14 C64 H64A 109.5(6) . . ?
N14 C64 H64B 109.5(6) . . ?
H64A C64 H64B 109.5 . . ?
N14 C64 H64C 109.5(7) . . ?
H64A C64 H64C 109.5 . . ?
H64B C64 H64C 109.5 . . ?
I2 I1 I3 177.57(4) . . ?
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
Re O1 1.697(7) . ?
Re O2 1.832(7) . ?
Re N34 2.120(7) . ?
Re N33 2.125(7) . ?
Re N31 2.126(7) . ?
Re N32 2.155(7) . ?
O2 B2 1.450(13) . ?
B2 F21 1.350(13) . ?
B2 F22 1.388(13) . ?
B2 F23 1.408(13) . ?
N11 C51 1.33(2) . ?
N11 C21 1.347(12) . ?
N11 C61 1.476(14) . ?
C21 N31 1.300(12) . ?
C21 H21 0.93 . ?
N31 C41 1.364(12) . ?
C41 C51 1.37(2) . ?
C41 H41 0.93 . ?
C51 H51 0.93 . ?
C61 H61A 0.96 . ?
C61 H61B 0.96 . ?
C61 H61C 0.96 . ?
N12 C22 1.338(11) . ?
N12 C52 1.350(14) . ?
N12 C62 1.484(13) . ?
C22 N32 1.315(12) . ?
C22 H22 0.93 . ?
N32 C42 1.357(12) . ?
C42 C52 1.331(14) . ?
C42 H42 0.93 . ?
C52 H52 0.93 . ?
C62 H62A 0.96 . ?
C62 H62B 0.96 . ?
C62 H62C 0.96 . ?
N13 C23 1.324(12) . ?
N13 C53 1.349(14) . ?
N13 C63 1.461(13) . ?
C23 N33 1.307(12) . ?
C23 H23 0.93 . ?
N33 C43 1.375(12) . ?
C43 C53 1.322(13) . ?
C43 H43 0.93 . ?
C53 H53 0.93 . ?
C63 H63A 0.96 . ?
C63 H63B 0.96 . ?
C63 H63C 0.96 . ?
N14 C54 1.325(13) . ?
N14 C24 1.333(11) . ?
N14 C64 1.475(12) . ?
C24 N34 1.333(11) . ?
C24 H24 0.93 . ?
N34 C44 1.366(12) . ?
C44 C54 1.301(12) . ?
C44 H44 0.93 . ?
C54 H54 0.93 . ?
C64 H64A 0.96 . ?
C64 H64B 0.96 . ?
C64 H64C 0.96 . ?
I1 I2 2.900(2) . ?
I1 I3 2.907(2) . ?
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
_geom_torsion_publ_flag
O1 Re O2 B2 -29.6(273) . . . . ?
N34 Re O2 B2 138.8(91) . . . . ?
N33 Re O2 B2 47.8(91) . . . . ?
N31 Re O2 B2 -131.9(91) . . . . ?
N32 Re O2 B2 -44.0(91) . . . . ?
Re O2 B2 F21 98.2(91) . . . . ?
Re O2 B2 F22 -139.1(86) . . . . ?
Re O2 B2 F23 -22.0(96) . . . . ?
C51 N11 C21 N31 -0.5(11) . . . . ?
C61 N11 C21 N31 -176.8(9) . . . . ?
N11 C21 N31 C41 1.0(11) . . . . ?
N11 C21 N31 Re -178.7(5) . . . . ?
O1 Re N31 C21 3.1(7) . . . . ?
O2 Re N31 C21 -177.6(7) . . . . ?
N34 Re N31 C21 -88.1(7) . . . . ?
N33 Re N31 C21 169.3(100) . . . . ?
N32 Re N31 C21 94.2(7) . . . . ?
O1 Re N31 C41 -176.5(8) . . . . ?
O2 Re N31 C41 2.7(8) . . . . ?
N34 Re N31 C41 92.3(8) . . . . ?
N33 Re N31 C41 -10.3(107) . . . . ?
N32 Re N31 C41 -85.4(8) . . . . ?
C21 N31 C41 C51 -1.2(12) . . . . ?
Re N31 C41 C51 178.5(7) . . . . ?
C21 N11 C51 C41 -0.3(13) . . . . ?
C61 N11 C51 C41 176.0(10) . . . . ?
N31 C41 C51 N11 1.0(14) . . . . ?
C52 N12 C22 N32 -0.5(12) . . . . ?
C62 N12 C22 N32 178.9(11) . . . . ?
N12 C22 N32 C42 -0.6(11) . . . . ?
N12 C22 N32 Re 176.7(6) . . . . ?
O1 Re N32 C22 4.0(8) . . . . ?
O2 Re N32 C22 -176.2(8) . . . . ?
N34 Re N32 C22 -125.8(49) . . . . ?
N33 Re N32 C22 94.4(8) . . . . ?
N31 Re N32 C22 -87.0(8) . . . . ?
O1 Re N32 C42 -179.3(9) . . . . ?
O2 Re N32 C42 0.5(9) . . . . ?
N34 Re N32 C42 51.0(54) . . . . ?
N33 Re N32 C42 -88.9(9) . . . . ?
N31 Re N32 C42 89.7(9) . . . . ?
C22 N32 C42 C52 1.5(13) . . . . ?
Re N32 C42 C52 -175.7(8) . . . . ?
N32 C42 C52 N12 -1.7(14) . . . . ?
C22 N12 C52 C42 1.4(14) . . . . ?
C62 N12 C52 C42 -178.0(11) . . . . ?
C53 N13 C23 N33 -0.7(14) . . . . ?
C63 N13 C23 N33 179.7(11) . . . . ?
N13 C23 N33 C43 0.7(13) . . . . ?
N13 C23 N33 Re -179.0(7) . . . . ?
O1 Re N33 C23 138.7(9) . . . . ?
O2 Re N33 C23 -40.6(9) . . . . ?
N34 Re N33 C23 -130.2(9) . . . . ?
N31 Re N33 C23 -27.6(107) . . . . ?
N32 Re N33 C23 47.5(9) . . . . ?
O1 Re N33 C43 -40.9(8) . . . . ?
O2 Re N33 C43 139.8(8) . . . . ?
N34 Re N33 C43 50.3(8) . . . . ?
N31 Re N33 C43 152.9(100) . . . . ?
N32 Re N33 C43 -132.1(8) . . . . ?
C23 N33 C43 C53 -0.4(13) . . . . ?
Re N33 C43 C53 179.2(7) . . . . ?
N33 C43 C53 N13 0.0(14) . . . . ?
C23 N13 C53 C43 0.4(14) . . . . ?
C63 N13 C53 C43 -180.0(12) . . . . ?
C54 N14 C24 N34 -0.3(13) . . . . ?
C64 N14 C24 N34 -177.3(10) . . . . ?
N14 C24 N34 C44 -1.0(12) . . . . ?
N14 C24 N34 Re -174.1(6) . . . . ?
O1 Re N34 C24 1.8(9) . . . . ?
O2 Re N34 C24 -178.0(8) . . . . ?
N33 Re N34 C24 -88.6(8) . . . . ?
N31 Re N34 C24 92.8(8) . . . . ?
N32 Re N34 C24 131.6(48) . . . . ?
O1 Re N34 C44 -169.8(10) . . . . ?
O2 Re N34 C44 10.4(10) . . . . ?
N33 Re N34 C44 99.8(10) . . . . ?
N31 Re N34 C44 -78.8(10) . . . . ?
N32 Re N34 C44 -40.0(55) . . . . ?
C24 N34 C44 C54 1.9(14) . . . . ?
Re N34 C44 C54 174.9(8) . . . . ?
N34 C44 C54 N14 -2.1(15) . . . . ?
C24 N14 C54 C44 1.5(14) . . . . ?
C64 N14 C54 C44 178.3(11) . . . . ?
