#------------------------------------------------------------------------------
#$Date: 2016-03-26 02:36:26 +0200 (Sat, 26 Mar 2016) $
#$Revision: 180147 $
#$URL: svn://www.crystallography.net/cod/cif/7/10/44/7104490.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_7104490
loop_
_publ_author_name
'Nieto, Sonia'
'Pérez, Julio'
'Riera, Lucía'
'Riera, Víctor'
'Miguel, Daniel'
_publ_section_title
;
 Metal complexes with two different hydrogen-bond donor ligands as
 anion hosts.
;
_journal_issue                   22
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              3279
_journal_page_last               3281
_journal_paper_doi               10.1039/b823460d
_journal_volume                  34
_journal_year                    2009
_chemical_formula_sum            'C18 H24 Cl N6 O8 Re'
_chemical_formula_weight         674.08
_chemical_name_systematic
;
?
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                103.004(7)
_cell_angle_beta                 92.846(7)
_cell_angle_gamma                102.560(8)
_cell_formula_units_Z            2
_cell_length_a                   8.653(3)
_cell_length_b                   8.977(4)
_cell_length_c                   16.972(7)
_cell_measurement_reflns_used    976
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      23.31
_cell_measurement_theta_min      1.25
_cell_volume                     1247.1(8)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.979
_diffrn_measured_fraction_theta_max 0.979
_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  0.0214
_diffrn_reflns_av_sigmaI/netI    0.0407
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       8
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            5566
_diffrn_reflns_theta_full        23.33
_diffrn_reflns_theta_max         23.33
_diffrn_reflns_theta_min         1.24
_exptl_absorpt_coefficient_mu    5.032
_exptl_absorpt_correction_T_max  1.000000
_exptl_absorpt_correction_T_min  0.745322
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.795
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       PRISM
_exptl_crystal_F_000             660
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.12
_exptl_crystal_size_min          0.09
_refine_diff_density_max         1.005
_refine_diff_density_min         -1.396
_refine_diff_density_rms         0.129
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.023
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     332
_refine_ls_number_reflns         3535
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.023
_refine_ls_R_factor_all          0.0393
_refine_ls_R_factor_gt           0.0326
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0581P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0776
_refine_ls_wR_factor_ref         0.0892
_reflns_number_gt                3078
_reflns_number_total             3535
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b823460d.txt
_cod_data_source_block           Compound_2ClO4_(sn576am)
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
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_sg_symbol_H-M      P-1
_cod_database_code               7104490
loop_
_symmetry_equiv_pos_as_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_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_disorder_assembly
_atom_site_disorder_group
O12 O 0.719(2) 0.2326(19) 0.1311(7) 0.236(8) Uani 1 1 d . . .
Re1 Re 0.08779(3) 0.26413(4) 0.349243(16) 0.04089(14) Uani 1 1 d . . .
N1 N 0.2189(8) 0.3802(8) 0.2604(4) 0.0537(17) Uani 1 1 d . . .
N2 N 0.604(2) 0.569(2) 0.2335(11) 0.084(5) Uani 0.50 1 d PG . .
H2A H 0.6433 0.5855 0.1879 0.126 Uiso 0.50 1 d PR . .
H2B H 0.6530 0.5051 0.2527 0.126 Uiso 0.50 1 d PR . .
N2A N 0.147(2) 0.513(2) 0.0843(9) 0.074(5) Uani 0.50 1 d PG . .
H2A1 H 0.1642 0.5869 0.0566 0.111 Uiso 0.50 1 d PG . .
H2A2 H 0.0782 0.4276 0.0544 0.111 Uiso 0.50 1 d PG . .
N3 N 0.3030(7) 0.1827(8) 0.3687(3) 0.0456(15) Uani 1 1 d . . .
N4 N 0.3669(7) 0.1018(8) 0.3058(4) 0.0486(16) Uani 1 1 d . . .
H4 H 0.346(9) 0.105(10) 0.256(5) 0.06(3) Uiso 1 1 d . . .
N5 N 0.0121(7) 0.0395(7) 0.2547(3) 0.0434(14) Uani 1 1 d . . .
N6 N -0.0555(8) 0.0344(9) 0.1793(4) 0.0506(16) Uani 1 1 d . . .
H6 H -0.070(9) 0.124(10) 0.162(5) 0.05(2) Uiso 1 1 d . . .
C1 C -0.0222(9) 0.1699(10) 0.4268(5) 0.051(2) Uani 1 1 d . . .
O1 O -0.0942(7) 0.1137(8) 0.4728(4) 0.0698(18) Uani 1 1 d . . .
C2 C -0.0982(9) 0.3355(10) 0.3290(4) 0.052(2) Uani 1 1 d . . .
O2 O -0.2074(8) 0.3869(9) 0.3215(4) 0.080(2) Uani 1 1 d . . .
C3 C 0.1600(10) 0.4595(12) 0.4301(5) 0.057(2) Uani 1 1 d . . .
O3 O 0.1991(9) 0.5738(9) 0.4783(4) 0.088(2) Uani 1 1 d . . .
C11 C 0.3775(11) 0.4308(10) 0.2710(5) 0.062(2) Uani 1 1 d . . .
H11 H 0.4334 0.4143 0.3153 0.074 Uiso 1 1 calc R . .
C12 C 0.4615(12) 0.5072(12) 0.2182(6) 0.075(3) Uani 1 1 d . . .
C13 C 0.3784(15) 0.5321(13) 0.1539(6) 0.085(3) Uani 1 1 d . . .
H13 H 0.4328 0.5810 0.1172 0.102 Uiso 1 1 calc R . .
C14 C 0.2174(13) 0.4864(11) 0.1430(5) 0.069(3) Uani 1 1 d . . .
C15 C 0.1410(11) 0.4092(10) 0.1974(5) 0.059(2) Uani 1 1 d . . .
H15 H 0.0306 0.3759 0.1899 0.071 Uiso 1 1 calc R . .
C21 C 0.3925(9) 0.1841(10) 0.4358(5) 0.053(2) Uani 1 1 d . . .
C22 C 0.5131(9) 0.1094(11) 0.4138(5) 0.062(2) Uani 1 1 d . . .
H22 H 0.5929 0.0974 0.4490 0.074 Uiso 1 1 calc R . .
C23 C 0.4941(9) 0.0567(10) 0.3319(5) 0.056(2) Uani 1 1 d . . .
C24 C 0.3617(11) 0.2600(12) 0.5189(5) 0.068(2) Uani 1 1 d . . .
H24A H 0.3677 0.3695 0.5229 0.101 Uiso 1 1 calc R . .
H24B H 0.4401 0.2494 0.5580 0.101 Uiso 1 1 calc R . .
H24C H 0.2576 0.2101 0.5295 0.101 Uiso 1 1 calc R . .
C25 C 0.5827(11) -0.0330(13) 0.2715(7) 0.084(3) Uani 1 1 d . . .
H25A H 0.6372 -0.0941 0.2977 0.126 Uiso 1 1 calc R . .
H25B H 0.6588 0.0395 0.2507 0.126 Uiso 1 1 calc R . .
H25C H 0.5088 -0.1018 0.2275 0.126 Uiso 1 1 calc R . .
C31 C 0.0049(9) -0.1094(10) 0.2542(5) 0.054(2) Uani 1 1 d . . .
C32 C -0.0665(11) -0.2080(12) 0.1805(6) 0.070(2) Uani 1 1 d . . .
H32 H -0.0847 -0.3171 0.1658 0.084 Uiso 1 1 calc R . .
C33 C -0.1049(10) -0.1129(11) 0.1337(5) 0.061(2) Uani 1 1 d . . .
C34 C 0.0615(13) -0.1634(12) 0.3254(6) 0.077(3) Uani 1 1 d . . .
H34A H 0.0800 -0.0786 0.3733 0.115 Uiso 1 1 calc R . .
H34B H 0.1588 -0.1959 0.3152 0.115 Uiso 1 1 calc R . .
H34C H -0.0178 -0.2503 0.3333 0.115 Uiso 1 1 calc R . .
C35 C -0.1839(14) -0.1480(14) 0.0493(6) 0.099(4) Uani 1 1 d . . .
H35A H -0.2941 -0.1989 0.0480 0.148 Uiso 1 1 calc R . .
H35B H -0.1327 -0.2159 0.0132 0.148 Uiso 1 1 calc R . .
H35C H -0.1760 -0.0517 0.0325 0.148 Uiso 1 1 calc R . .
Cl1 Cl 0.7088(3) 0.2723(3) 0.05994(15) 0.0738(6) Uani 1 1 d . . .
O11 O 0.8214(16) 0.2152(15) 0.0150(11) 0.228(8) Uani 1 1 d . . .
O13 O 0.5732(15) 0.2125(19) 0.0195(11) 0.240(8) Uani 1 1 d . . .
O14 O 0.7416(16) 0.4348(11) 0.0751(7) 0.167(5) Uani 1 1 d . . .
O90 O 0.3154(10) 0.0602(10) 0.1366(5) 0.100(2) Uiso 1 1 d G . .
H90A H 0.3325 -0.0403 0.1411 0.150 Uiso 1 1 d G . .
H90B H 0.2085 0.0376 0.1109 0.150 Uiso 1 1 d G . .
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'
Cl Cl 0.1484 0.1585 '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
_geom_angle_publ_flag
C2 Re1 C1 86.7(3) . . ?
C2 Re1 C3 86.4(3) . . ?
C1 Re1 C3 90.4(4) . . ?
C2 Re1 N3 178.2(3) . . ?
C1 Re1 N3 94.9(3) . . ?
C3 Re1 N3 94.4(3) . . ?
C2 Re1 N5 95.0(3) . . ?
C1 Re1 N5 90.8(3) . . ?
C3 Re1 N5 178.2(3) . . ?
N3 Re1 N5 84.3(2) . . ?
C2 Re1 N1 93.2(3) . . ?
C1 Re1 N1 178.6(3) . . ?
C3 Re1 N1 88.2(3) . . ?
N3 Re1 N1 85.2(2) . . ?
N5 Re1 N1 90.5(2) . . ?
C11 N1 C15 117.7(7) . . ?
C11 N1 Re1 121.0(6) . . ?
C15 N1 Re1 121.2(6) . . ?
C12 N2 H2A 108.6 . . ?
C12 N2 H2B 109.2 . . ?
H2A N2 H2B 109.5 . . ?
C14 N2A H2A1 135.3 . . ?
C14 N2A H2A2 112.9 . . ?
H2A1 N2A H2A2 109.5 . . ?
C21 N3 N4 105.1(6) . . ?
C21 N3 Re1 133.0(5) . . ?
N4 N3 Re1 121.7(4) . . ?
C23 N4 N3 111.6(7) . . ?
C23 N4 H4 123(5) . . ?
N3 N4 H4 123(5) . . ?
C31 N5 N6 104.5(6) . . ?
C31 N5 Re1 133.9(5) . . ?
N6 N5 Re1 121.4(5) . . ?
C33 N6 N5 112.2(7) . . ?
C33 N6 H6 124(5) . . ?
N5 N6 H6 124(5) . . ?
O1 C1 Re1 177.5(6) . . ?
O2 C2 Re1 175.3(8) . . ?
O3 C3 Re1 178.5(8) . . ?
N1 C11 C12 122.2(9) . . ?
N1 C11 H11 118.9 . . ?
C12 C11 H11 118.9 . . ?
N2 C12 C13 119.4(12) . . ?
N2 C12 C11 121.5(13) . . ?
C13 C12 C11 118.4(10) . . ?
C14 C13 C12 120.7(9) . . ?
C14 C13 H13 119.6 . . ?
C12 C13 H13 119.6 . . ?
N2A C14 C13 118.5(12) . . ?
N2A C14 C15 123.6(12) . . ?
C13 C14 C15 117.9(9) . . ?
N1 C15 C14 123.0(9) . . ?
N1 C15 H15 118.5 . . ?
C14 C15 H15 118.5 . . ?
N3 C21 C22 109.3(7) . . ?
N3 C21 C24 122.7(7) . . ?
C22 C21 C24 127.9(7) . . ?
C23 C22 C21 107.7(7) . . ?
C23 C22 H22 126.2 . . ?
C21 C22 H22 126.2 . . ?
N4 C23 C22 106.2(7) . . ?
N4 C23 C25 119.8(8) . . ?
C22 C23 C25 134.0(8) . . ?
C21 C24 H24A 109.5 . . ?
C21 C24 H24B 109.5 . . ?
H24A C24 H24B 109.5 . . ?
C21 C24 H24C 109.5 . . ?
H24A C24 H24C 109.5 . . ?
H24B C24 H24C 109.5 . . ?
C23 C25 H25A 109.5 . . ?
C23 C25 H25B 109.5 . . ?
H25A C25 H25B 109.5 . . ?
C23 C25 H25C 109.5 . . ?
H25A C25 H25C 109.5 . . ?
H25B C25 H25C 109.5 . . ?
N5 C31 C32 111.0(7) . . ?
N5 C31 C34 124.1(8) . . ?
C32 C31 C34 124.8(8) . . ?
C33 C32 C31 106.3(8) . . ?
C33 C32 H32 126.8 . . ?
C31 C32 H32 126.8 . . ?
N6 C33 C32 105.9(8) . . ?
N6 C33 C35 121.9(9) . . ?
C32 C33 C35 132.1(10) . . ?
C31 C34 H34A 109.5 . . ?
C31 C34 H34B 109.5 . . ?
H34A C34 H34B 109.5 . . ?
C31 C34 H34C 109.5 . . ?
H34A C34 H34C 109.5 . . ?
H34B C34 H34C 109.5 . . ?
C33 C35 H35A 109.5 . . ?
C33 C35 H35B 109.5 . . ?
H35A C35 H35B 109.5 . . ?
C33 C35 H35C 109.5 . . ?
H35A C35 H35C 109.5 . . ?
H35B C35 H35C 109.5 . . ?
O13 Cl1 O12 112.9(12) . . ?
O13 Cl1 O11 108.0(12) . . ?
O12 Cl1 O11 106.9(10) . . ?
O13 Cl1 O14 110.2(9) . . ?
O12 Cl1 O14 108.4(9) . . ?
O11 Cl1 O14 110.4(7) . . ?
H90A O90 H90B 105.0 . . ?
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
O12 Cl1 1.339(11) . ?
Re1 C2 1.900(8) . ?
Re1 C1 1.905(9) . ?
Re1 C3 1.925(10) . ?
Re1 N3 2.180(6) . ?
Re1 N5 2.222(6) . ?
Re1 N1 2.238(7) . ?
N1 C11 1.338(11) . ?
N1 C15 1.340(10) . ?
N2 C12 1.226(18) . ?
N2 H2A 0.8900 . ?
N2 H2B 0.8900 . ?
N2A C14 1.237(15) . ?
N2A H2A1 0.8901 . ?
N2A H2A2 0.8901 . ?
N3 C21 1.341(9) . ?
N3 N4 1.362(8) . ?
N4 C23 1.341(10) . ?
N4 H4 0.86(8) . ?
N5 C31 1.323(10) . ?
N5 N6 1.366(8) . ?
N6 C33 1.339(11) . ?
N6 H6 0.94(8) . ?
C1 O1 1.159(9) . ?
C2 O2 1.152(9) . ?
C3 O3 1.131(10) . ?
C11 C12 1.389(12) . ?
C11 H11 0.9300 . ?
C12 C13 1.363(15) . ?
C13 C14 1.355(14) . ?
C13 H13 0.9300 . ?
C14 C15 1.386(12) . ?
C15 H15 0.9300 . ?
C21 C22 1.382(11) . ?
C21 C24 1.486(11) . ?
C22 C23 1.353(11) . ?
C22 H22 0.9300 . ?
C23 C25 1.504(11) . ?
C24 H24A 0.9600 . ?
C24 H24B 0.9600 . ?
C24 H24C 0.9600 . ?
C25 H25A 0.9600 . ?
C25 H25B 0.9600 . ?
C25 H25C 0.9600 . ?
C31 C32 1.384(12) . ?
C31 C34 1.497(11) . ?
C32 C33 1.369(12) . ?
C32 H32 0.9300 . ?
C33 C35 1.491(12) . ?
C34 H34A 0.9600 . ?
C34 H34B 0.9600 . ?
C34 H34C 0.9600 . ?
C35 H35A 0.9600 . ?
C35 H35B 0.9600 . ?
C35 H35C 0.9600 . ?
Cl1 O13 1.271(10) . ?
Cl1 O11 1.382(10) . ?
Cl1 O14 1.385(10) . ?
O90 H90A 0.9645 . ?
O90 H90B 0.9626 . ?
loop_
_geom_hbond_atom_site_label_D
_geom_hbond_atom_site_label_H
_geom_hbond_atom_site_label_A
_geom_hbond_distance_DH
_geom_hbond_distance_HA
_geom_hbond_distance_DA
_geom_hbond_angle_DHA
_geom_hbond_site_symmetry_A
O90 H90B N6 0.96 2.61 3.296(11) 128.4 .
N6 H6 O12 0.94(8) 2.34(8) 3.103(14) 138(6) 1_455
N4 H4 O90 0.86(8) 1.97(8) 2.810(11) 165(8) .
N2A H2A2 O11 0.89 2.54 3.38(2) 157.7 1_455
N2A H2A1 Cl1 0.89 2.73 3.557(14) 155.3 2_665
N2A H2A1 O14 0.89 2.40 3.017(18) 126.9 2_665
N2A H2A1 O11 0.89 2.35 3.24(2) 173.2 2_665
N2 H2B O2 0.89 2.22 3.097(15) 168.5 1_655
N2 H2A O14 0.89 2.39 3.10(2) 136.3 .
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
C2 Re1 N1 C11 150.4(6) . . . . ?
C3 Re1 N1 C11 64.1(6) . . . . ?
N3 Re1 N1 C11 -30.4(6) . . . . ?
N5 Re1 N1 C11 -114.6(6) . . . . ?
C2 Re1 N1 C15 -25.9(7) . . . . ?
C3 Re1 N1 C15 -112.2(7) . . . . ?
N3 Re1 N1 C15 153.3(6) . . . . ?
N5 Re1 N1 C15 69.1(6) . . . . ?
C1 Re1 N3 C21 -47.3(8) . . . . ?
C3 Re1 N3 C21 43.5(8) . . . . ?
N5 Re1 N3 C21 -137.7(8) . . . . ?
N1 Re1 N3 C21 131.3(8) . . . . ?
C1 Re1 N3 N4 126.9(6) . . . . ?
C3 Re1 N3 N4 -142.2(6) . . . . ?
N5 Re1 N3 N4 36.6(6) . . . . ?
N1 Re1 N3 N4 -54.4(6) . . . . ?
C21 N3 N4 C23 -1.3(9) . . . . ?
Re1 N3 N4 C23 -177.0(5) . . . . ?
C2 Re1 N5 C31 -130.2(7) . . . . ?
C1 Re1 N5 C31 -43.5(7) . . . . ?
N3 Re1 N5 C31 51.4(7) . . . . ?
N1 Re1 N5 C31 136.5(7) . . . . ?
C2 Re1 N5 N6 43.5(6) . . . . ?
C1 Re1 N5 N6 130.3(5) . . . . ?
N3 Re1 N5 N6 -134.9(5) . . . . ?
N1 Re1 N5 N6 -49.8(5) . . . . ?
C31 N5 N6 C33 0.7(8) . . . . ?
Re1 N5 N6 C33 -174.7(5) . . . . ?
C15 N1 C11 C12 -1.7(12) . . . . ?
Re1 N1 C11 C12 -178.1(7) . . . . ?
N1 C11 C12 N2 171.3(13) . . . . ?
N1 C11 C12 C13 0.6(14) . . . . ?
N2 C12 C13 C14 -169.5(13) . . . . ?
C11 C12 C13 C14 1.4(16) . . . . ?
C12 C13 C14 N2A 179.4(13) . . . . ?
C12 C13 C14 C15 -2.2(15) . . . . ?
C11 N1 C15 C14 0.9(12) . . . . ?
Re1 N1 C15 C14 177.3(6) . . . . ?
N2A C14 C15 N1 179.4(13) . . . . ?
C13 C14 C15 N1 1.0(14) . . . . ?
N4 N3 C21 C22 2.0(9) . . . . ?
Re1 N3 C21 C22 176.9(6) . . . . ?
N4 N3 C21 C24 -179.3(8) . . . . ?
Re1 N3 C21 C24 -4.4(13) . . . . ?
N3 C21 C22 C23 -2.0(11) . . . . ?
C24 C21 C22 C23 179.4(9) . . . . ?
N3 N4 C23 C22 0.1(10) . . . . ?
N3 N4 C23 C25 -179.4(8) . . . . ?
C21 C22 C23 N4 1.1(10) . . . . ?
C21 C22 C23 C25 -179.5(10) . . . . ?
N6 N5 C31 C32 -0.3(9) . . . . ?
Re1 N5 C31 C32 174.2(5) . . . . ?
N6 N5 C31 C34 -178.3(8) . . . . ?
Re1 N5 C31 C34 -3.9(12) . . . . ?
N5 C31 C32 C33 -0.1(10) . . . . ?
C34 C31 C32 C33 177.9(8) . . . . ?
N5 N6 C33 C32 -0.7(9) . . . . ?
N5 N6 C33 C35 179.4(8) . . . . ?
C31 C32 C33 N6 0.5(10) . . . . ?
C31 C32 C33 C35 -179.7(10) . . . . ?
