#------------------------------------------------------------------------------
#$Date: 2016-08-07 11:50:55 +0300 (Sun, 07 Aug 2016) $
#$Revision: 185355 $
#$URL: file:///home/coder/svn-repositories/cod/cif/7/03/95/7039503.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_7039503
loop_
_publ_author_name
'Khavasi, Hamid Reza'
'Kavand, Sima'
_publ_section_title
;
 Conformational variety of flexible mono-dentate ligands in coordination
 compounds: influence of π-involving interactions.
;
_journal_issue                   26
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              10761
_journal_page_last               10770
_journal_paper_doi               10.1039/c6dt01563h
_journal_volume                  45
_journal_year                    2016
_chemical_formula_sum            'C32 H22 Br2 Cl2 Hg N4'
_chemical_formula_weight         893.83
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           5
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  'C 2y'
_symmetry_space_group_name_H-M   'C 1 2 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2016-03-29 deposited with the CCDC.
2016-06-06 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 115.093(9)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   37.566(4)
_cell_length_b                   5.2293(5)
_cell_length_c                   16.778(2)
_cell_measurement_reflns_used    13660
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      27.00
_cell_measurement_theta_min      2.43
_cell_volume                     2984.9(6)
_computing_cell_refinement       'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_data_collection       'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_data_reduction        'X-Area 1.31 (Stoe & Cie GmbH, 2005)'
_computing_molecular_graphics    'ORTEP-3 for Windows (Farrugia, 1997)'
_computing_publication_material  'WinGX (Farrugia, 1999)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'STOE IPDS II'
_diffrn_measurement_method       'rotation method'
_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  0.0821
_diffrn_reflns_av_sigmaI/netI    0.1020
_diffrn_reflns_limit_h_max       47
_diffrn_reflns_limit_h_min       -47
_diffrn_reflns_limit_k_max       6
_diffrn_reflns_limit_k_min       -6
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            13660
_diffrn_reflns_theta_full        26.99
_diffrn_reflns_theta_max         26.99
_diffrn_reflns_theta_min         2.43
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    8.043
_exptl_absorpt_correction_T_max  0.6521
_exptl_absorpt_correction_T_min  0.2000
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'shape of crystal determined optically'
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Needle
_exptl_crystal_F_000             1704
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.02
_refine_diff_density_max         1.012
_refine_diff_density_min         -1.100
_refine_diff_density_rms         0.196
_refine_ls_abs_structure_details 'Flack H D (1983), Acta Cryst. A39, 876-881'
_refine_ls_abs_structure_Flack   0.006(19)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.960
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     336
_refine_ls_number_reflns         6523
_refine_ls_number_restraints     1
_refine_ls_restrained_S_all      0.960
_refine_ls_R_factor_all          0.0821
_refine_ls_R_factor_gt           0.0752
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0000P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1197
_refine_ls_wR_factor_ref         0.1423
_reflns_number_gt                6253
_reflns_number_total             6523
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6dt01563h2.cif
_cod_data_source_block           d
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
according to
/usr/data/users/saulius/crontab/automatic-downloads/rss-feeds/RSC/lib/dictionaries/cif_core.dic
dictionary named 'cif_core.dic' version 2.4.2 from 2011-04-26.

Automatic conversion script
Id: cif_fix_values 4268 2015-11-12 08:31:59Z antanas 

 Adding full bibliography for 7039497--7039504.cif.
;
_cod_original_sg_symbol_H-M      C2
_cod_original_formula_sum        'C32 H22 Br2 Cl2 Hg1 N4'
_cod_database_code               7039503
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -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
C1 C -0.0422(7) 0.603(5) 0.1587(15) 0.042(6) Uani 1 1 d .
H1A H -0.0488 0.7345 0.1872 0.050 Uiso 1 1 calc R
C2 C -0.0099(8) 0.488(5) 0.2008(13) 0.041(10) Uani 1 1 d .
H2A H 0.0068 0.5390 0.2575 0.082 Uiso 1 1 calc R
C3 C 0.0002(7) 0.284(4) 0.1606(17) 0.045(7) Uani 1 1 d .
H3 H 0.0233 0.1946 0.1924 0.054 Uiso 1 1 calc R
C4 C -0.0577(7) 0.331(4) 0.0354(15) 0.045(5) Uani 1 1 d .
H4 H -0.0756 0.2717 -0.0193 0.038 Uiso 1 1 calc R
C5 C -0.0678(6) 0.546(5) 0.0746(13) 0.037(6) Uani 1 1 d .
C6 C -0.1049(8) 0.678(4) 0.0241(18) 0.046(7) Uani 1 1 d .
H6 H -0.1229 0.6068 -0.0284 0.056 Uiso 1 1 calc R
C7 C -0.1456(7) 1.030(4) -0.0084(18) 0.033(7) Uani 1 1 d .
C8 C -0.1548(7) 1.052(5) -0.0960(14) 0.037(7) Uani 1 1 d .
H8 H -0.1411 0.9570 -0.1206 0.060 Uiso 1 1 calc R
C9 C -0.1835(7) 1.212(5) -0.1467(18) 0.049(7) Uani 1 1 d .
H9 H -0.1905 1.2191 -0.2069 0.059 Uiso 1 1 calc R
C10 C -0.2028(6) 1.367(5) -0.1099(17) 0.041(7) Uani 1 1 d .
C11 C -0.1934(7) 1.349(5) -0.0200(17) 0.031(7) Uani 1 1 d .
C12 C -0.2118(9) 1.518(5) 0.020(2) 0.038(8) Uani 1 1 d .
H12 H -0.2304 1.6369 -0.0144 0.074 Uiso 1 1 calc R
C13 C -0.2017(8) 1.503(5) 0.105(2) 0.035(9) Uani 1 1 d .
H13 H -0.2142 1.6131 0.1285 0.074 Uiso 1 1 calc R
C14 C -0.1736(8) 1.334(5) 0.163(2) 0.035(9) Uani 1 1 d .
H14 H -0.1679 1.3283 0.2225 0.076 Uiso 1 1 calc R
C15 C -0.1551(8) 1.178(4) 0.1266(17) 0.033(7) Uani 1 1 d .
H15 H -0.1366 1.0602 0.1617 0.057 Uiso 1 1 calc R
C16 C -0.1641(8) 1.195(4) 0.0352(19) 0.032(7) Uani 1 1 d .
C17 C 0.1077(7) 0.770(4) 0.6440(17) 0.051(7) Uani 1 1 d .
H17 H 0.1243 0.9092 0.6680 0.061 Uiso 1 1 calc R
C18 C 0.0934(7) 0.629(4) 0.6947(16) 0.044(6) Uani 1 1 d .
H18 H 0.1030 0.6567 0.7550 0.053 Uiso 1 1 calc R
C19 C 0.0664(7) 0.456(5) 0.6563(17) 0.048(7) Uani 1 1 d .
H19 H 0.0552 0.3756 0.6896 0.057 Uiso 1 1 calc R
C20 C 0.0680(7) 0.506(5) 0.5210(17) 0.051(7) Uani 1 1 d .
H20 H 0.0589 0.4620 0.4620 0.061 Uiso 1 1 calc R
C21 C 0.0963(8) 0.698(4) 0.5559(15) 0.042(6) Uani 1 1 d .
C22 C 0.1115(7) 0.844(4) 0.5038(16) 0.037(6) Uani 1 1 d .
H22 H 0.1073 0.7769 0.4492 0.045 Uiso 1 1 calc R
C23 C 0.1399(8) 1.195(5) 0.4686(16) 0.041(7) Uani 1 1 d .
C24 C 0.1193(7) 1.195(4) 0.3774(18) 0.047(7) Uani 1 1 d .
H24 H 0.0973 1.0905 0.3509 0.056 Uiso 1 1 calc R
C25 C 0.1310(7) 1.346(4) 0.3264(17) 0.050(7) Uani 1 1 d .
H25 H 0.1181 1.3313 0.2655 0.060 Uiso 1 1 calc R
C26 C 0.1608(7) 1.518(4) 0.3617(16) 0.039(6) Uani 1 1 d .
C27 C 0.1831(7) 1.531(5) 0.4543(17) 0.047(7) Uani 1 1 d .
C28 C 0.2130(7) 1.709(5) 0.500(2) 0.050(8) Uani 1 1 d .
H28 H 0.2197 1.8238 0.4666 0.060 Uiso 1 1 calc R
C29 C 0.2323(8) 1.727(5) 0.587(2) 0.042(8) Uani 1 1 d .
H29 H 0.2523 1.8470 0.6118 0.073 Uiso 1 1 calc R
C30 C 0.2222(8) 1.563(6) 0.6402(19) 0.049(9) Uani 1 1 d .
H30 H 0.2352 1.5742 0.7011 0.077 Uiso 1 1 calc R
C31 C 0.1929(7) 1.384(6) 0.6020(16) 0.049(6) Uani 1 1 d .
H31 H 0.1869 1.2746 0.6383 0.059 Uiso 1 1 calc R
C32 C 0.1716(7) 1.361(4) 0.5103(14) 0.034(6) Uani 1 1 d .
N1 N -0.0226(6) 0.214(3) 0.0770(11) 0.041(5) Uani 1 1 d .
N2 N -0.1128(5) 0.885(5) 0.0507(12) 0.040(6) Uani 1 1 d .
N3 N 0.0538(5) 0.386(4) 0.5716(13) 0.042(5) Uani 1 1 d .
N4 N 0.1294(6) 1.048(3) 0.5245(12) 0.047(5) Uani 1 1 d .
Hg1 Hg 0.0000 -0.0981(2) 0.0000 0.0340(5) Uani 1 2 d S
Hg2 Hg 0.0000 0.0843(3) 0.5000 0.0449(6) Uani 1 2 d S
Br1 Br -0.06249(8) -0.2036(5) -0.12824(19) 0.0594(8) Uani 1 1 d .
Br2 Br 0.01072(8) -0.0264(4) 0.36829(18) 0.0550(8) Uani 1 1 d .
Cl1 Cl -0.2397(2) 1.5697(16) -0.1802(5) 0.073(2) Uani 1 1 d .
Cl2 Cl 0.1741(3) 1.7184(15) 0.2969(5) 0.073(3) Uani 1 1 d .
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'
Hg Hg -2.3894 9.2266 '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'
Cl Cl 0.1484 0.1585 '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
C2 C1 C5 124(2) . .
C2 C1 H1A 117.9 . .
C5 C1 H1A 117.8 . .
C1 C2 C3 119(2) . .
C1 C2 H2A 120.5 . .
C3 C2 H2A 120.5 . .
N1 C3 C2 122(2) . .
N1 C3 H3 119.1 . .
C2 C3 H3 119.0 . .
N1 C4 C5 121(2) . .
N1 C4 H4 119.6 . .
C5 C4 H4 119.7 . .
C1 C5 C4 116(2) . .
C1 C5 C6 126(2) . .
C4 C5 C6 118(2) . .
N2 C6 C5 121(2) . .
N2 C6 H6 119.6 . .
C5 C6 H6 119.6 . .
C8 C7 N2 123(2) . .
C8 C7 C16 122(2) . .
N2 C7 C16 114(2) . .
C9 C8 C7 120(3) . .
C9 C8 H8 119.9 . .
C7 C8 H8 119.9 . .
C8 C9 C10 121(3) . .
C8 C9 H9 119.7 . .
C10 C9 H9 119.7 . .
C9 C10 C11 120(2) . .
C9 C10 Cl1 118(2) . .
C11 C10 Cl1 122(2) . .
C16 C11 C10 122(2) . .
C16 C11 C12 117(3) . .
C10 C11 C12 120(2) . .
C13 C12 C11 119(3) . .
C13 C12 H12 120.3 . .
C11 C12 H12 120.3 . .
C12 C13 C14 125(3) . .
C12 C13 H13 117.4 . .
C14 C13 H13 117.4 . .
C15 C14 C13 116(3) . .
C15 C14 H14 122.0 . .
C13 C14 H14 121.9 . .
C14 C15 C16 120(3) . .
C14 C15 H15 119.8 . .
C16 C15 H15 119.8 . .
C11 C16 C15 122(2) . .
C11 C16 C7 115(2) . .
C15 C16 C7 123(2) . .
C18 C17 C21 118(2) . .
C18 C17 H17 120.9 . .
C21 C17 H17 120.8 . .
C19 C18 C17 119(2) . .
C19 C18 H18 120.5 . .
C17 C18 H18 120.5 . .
C18 C19 N3 124(2) . .
C18 C19 H19 117.9 . .
N3 C19 H19 117.9 . .
N3 C20 C21 121(2) . .
N3 C20 H20 119.7 . .
C21 C20 H20 119.7 . .
C20 C21 C17 118(2) . .
C20 C21 C22 123(2) . .
C17 C21 C22 118(2) . .
N4 C22 C21 126(2) . .
N4 C22 H22 116.8 . .
C21 C22 H22 116.8 . .
N4 C23 C24 124(3) . .
N4 C23 C32 115(2) . .
C24 C23 C32 121(2) . .
C25 C24 C23 121(2) . .
C25 C24 H24 119.7 . .
C23 C24 H24 119.7 . .
C26 C25 C24 122(3) . .
C26 C25 H25 118.8 . .
C24 C25 H25 118.9 . .
C25 C26 C27 120(2) . .
C25 C26 Cl2 122(2) . .
C27 C26 Cl2 117.9(19) . .
C28 C27 C26 126(2) . .
C28 C27 C32 115(2) . .
C26 C27 C32 118(2) . .
C29 C28 C27 126(3) . .
C29 C28 H28 117.0 . .
C27 C28 H28 117.0 . .
C28 C29 C30 119(3) . .
C28 C29 H29 120.6 . .
C30 C29 H29 120.5 . .
C31 C30 C29 120(3) . .
C31 C30 H30 120.1 . .
C29 C30 H30 120.1 . .
C30 C31 C32 123(2) . .
C30 C31 H31 118.7 . .
C32 C31 H31 118.7 . .
C23 C32 C31 125(2) . .
C23 C32 C27 118(2) . .
C31 C32 C27 117(2) . .
C3 N1 C4 118(2) . .
C3 N1 Hg1 121.5(17) . .
C4 N1 Hg1 120.8(14) . .
C6 N2 C7 118(2) . .
C20 N3 C19 119(2) . .
C20 N3 Hg2 117.5(16) . .
C19 N3 Hg2 122.9(15) . .
C22 N4 C23 124(2) . .
N1 Hg1 N1 96.4(8) . 2
N1 Hg1 Br1 95.9(5) . 2
N1 Hg1 Br1 101.1(5) 2 2
N1 Hg1 Br1 101.1(5) . .
N1 Hg1 Br1 95.9(5) 2 .
Br1 Hg1 Br1 154.30(14) 2 .
N3 Hg2 N3 99.5(9) 2_556 .
N3 Hg2 Br2 100.1(4) 2_556 2_556
N3 Hg2 Br2 97.2(4) . 2_556
N3 Hg2 Br2 97.2(4) 2_556 .
N3 Hg2 Br2 100.1(4) . .
Br2 Hg2 Br2 152.98(13) 2_556 .
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 C2 1.26(3) .
C1 C5 1.36(3) .
C1 H1A 0.9300 .
C2 C3 1.40(3) .
C2 H2A 0.9300 .
C3 N1 1.35(3) .
C3 H3 0.9300 .
C4 N1 1.35(3) .
C4 C5 1.43(3) .
C4 H4 0.9300 .
C5 C6 1.46(3) .
C6 N2 1.26(3) .
C6 H6 0.9300 .
C7 C8 1.37(3) .
C7 N2 1.43(3) .
C7 C16 1.48(3) .
C8 C9 1.34(3) .
C8 H8 0.9300 .
C9 C10 1.40(3) .
C9 H9 0.9300 .
C10 C11 1.40(3) .
C10 Cl1 1.75(2) .
C11 C16 1.36(3) .
C11 C12 1.45(3) .
C12 C13 1.32(4) .
C12 H12 0.9300 .
C13 C14 1.40(3) .
C13 H13 0.9300 .
C14 C15 1.37(3) .
C14 H14 0.9300 .
C15 C16 1.43(3) .
C15 H15 0.9300 .
C17 C18 1.39(3) .
C17 C21 1.41(3) .
C17 H17 0.9300 .
C18 C19 1.31(3) .
C18 H18 0.9300 .
C19 N3 1.34(3) .
C19 H19 0.9300 .
C20 N3 1.34(3) .
C20 C21 1.40(3) .
C20 H20 0.9300 .
C21 C22 1.45(3) .
C22 N4 1.23(3) .
C22 H22 0.9300 .
C23 N4 1.39(3) .
C23 C24 1.39(3) .
C23 C32 1.40(3) .
C24 C25 1.37(3) .
C24 H24 0.9300 .
C25 C26 1.36(3) .
C25 H25 0.9300 .
C26 C27 1.42(3) .
C26 Cl2 1.73(2) .
C27 C28 1.41(3) .
C27 C32 1.48(3) .
C28 C29 1.32(4) .
C28 H28 0.9300 .
C29 C30 1.41(3) .
C29 H29 0.9300 .
C30 C31 1.38(3) .
C30 H30 0.9300 .
C31 C32 1.41(3) .
C31 H31 0.9300 .
N1 Hg1 2.445(17) .
N3 Hg2 2.441(19) .
Hg1 N1 2.445(17) 2
Hg1 Br1 2.482(3) 2
Hg1 Br1 2.482(3) .
Hg2 N3 2.441(19) 2_556
Hg2 Br2 2.477(2) 2_556
Hg2 Br2 2.477(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_4
C5 C1 C2 C3 -2(4) .
C1 C2 C3 N1 3(4) .
C2 C1 C5 C4 4(4) .
C2 C1 C5 C6 -179(3) .
N1 C4 C5 C1 -7(3) .
N1 C4 C5 C6 175.6(19) .
C1 C5 C6 N2 12(4) .
C4 C5 C6 N2 -171(2) .
N2 C7 C8 C9 -173(2) .
C16 C7 C8 C9 -6(4) .
C7 C8 C9 C10 4(4) .
C8 C9 C10 C11 -3(4) .
C8 C9 C10 Cl1 179.9(19) .
C9 C10 C11 C16 4(4) .
Cl1 C10 C11 C16 -178(2) .
C9 C10 C11 C12 177(2) .
Cl1 C10 C11 C12 -6(3) .
C16 C11 C12 C13 -5(4) .
C10 C11 C12 C13 -178(2) .
C11 C12 C13 C14 1(4) .
C12 C13 C14 C15 1(4) .
C13 C14 C15 C16 1(4) .
C10 C11 C16 C15 -180(2) .
C12 C11 C16 C15 8(4) .
C10 C11 C16 C7 -6(3) .
C12 C11 C16 C7 -179(2) .
C14 C15 C16 C11 -6(4) .
C14 C15 C16 C7 -179(2) .
C8 C7 C16 C11 7(3) .
N2 C7 C16 C11 175(2) .
C8 C7 C16 C15 -180(2) .
N2 C7 C16 C15 -12(3) .
C21 C17 C18 C19 -8(3) .
C17 C18 C19 N3 7(4) .
N3 C20 C21 C17 -4(3) .
N3 C20 C21 C22 -177(2) .
C18 C17 C21 C20 7(3) .
C18 C17 C21 C22 -179(2) .
C20 C21 C22 N4 163(2) .
C17 C21 C22 N4 -10(3) .
N4 C23 C24 C25 179.1(19) .
C32 C23 C24 C25 4(3) .
C23 C24 C25 C26 -6(3) .
C24 C25 C26 C27 5(3) .
C24 C25 C26 Cl2 -177.3(17) .
C25 C26 C27 C28 -176(2) .
Cl2 C26 C27 C28 7(4) .
C25 C26 C27 C32 -3(3) .
Cl2 C26 C27 C32 179.4(17) .
C26 C27 C28 C29 176(2) .
C32 C27 C28 C29 4(4) .
C27 C28 C29 C30 -2(4) .
C28 C29 C30 C31 1(4) .
C29 C30 C31 C32 -1(4) .
N4 C23 C32 C31 1(3) .
C24 C23 C32 C31 177(2) .
N4 C23 C32 C27 -177.4(19) .
C24 C23 C32 C27 -2(3) .
C30 C31 C32 C23 -176(3) .
C30 C31 C32 C27 3(4) .
C28 C27 C32 C23 175(2) .
C26 C27 C32 C23 1(3) .
C28 C27 C32 C31 -4(3) .
C26 C27 C32 C31 -177(2) .
C2 C3 N1 C4 -6(3) .
C2 C3 N1 Hg1 170.4(17) .
C5 C4 N1 C3 8(3) .
C5 C4 N1 Hg1 -168.2(14) .
C5 C6 N2 C7 168(2) .
C8 C7 N2 C6 -39(4) .
C16 C7 N2 C6 153(2) .
C21 C20 N3 C19 2(3) .
C21 C20 N3 Hg2 174.2(16) .
C18 C19 N3 C20 -3(3) .
C18 C19 N3 Hg2 -175.5(17) .
C21 C22 N4 C23 -173(2) .
C24 C23 N4 C22 28(4) .
C32 C23 N4 C22 -157(2) .
C3 N1 Hg1 N1 -96.7(17) 2
C4 N1 Hg1 N1 79.8(15) 2
C3 N1 Hg1 Br1 5.3(17) 2
C4 N1 Hg1 Br1 -178.3(15) 2
C3 N1 Hg1 Br1 166.0(16) .
C4 N1 Hg1 Br1 -17.6(16) .
C20 N3 Hg2 N3 -75.2(15) 2_556
C19 N3 Hg2 N3 97.2(18) 2_556
C20 N3 Hg2 Br2 -176.8(15) 2_556
C19 N3 Hg2 Br2 -4.4(18) 2_556
C20 N3 Hg2 Br2 23.9(16) .
C19 N3 Hg2 Br2 -163.7(17) .
