#------------------------------------------------------------------------------
#$Date: 2016-03-25 23:33:23 +0200 (Fri, 25 Mar 2016) $
#$Revision: 180044 $
#$URL: svn://www.crystallography.net/cod/cif/7/03/38/7033842.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_7033842
loop_
_publ_author_name
'Khavasi, Hamid Reza'
'Mir Mohammad Sadegh, Bahareh'
_publ_section_title
;
 Influence of N-heteroaromatic π-π stacking on supramolecular assembly
 and coordination geometry; effect of a single-atom change in the ligand.
;
_journal_issue                   12
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5488
_journal_page_last               5502
_journal_paper_doi               10.1039/c4dt03518f
_journal_volume                  44
_journal_year                    2015
_chemical_formula_sum            'C28 H20 Cl4 Hg2 N8 O2'
_chemical_formula_weight         1043.50
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2014-07-23 deposited with the CCDC.
2015-01-27 downloaded from the CCDC.
;
_cell_angle_alpha                90.00
_cell_angle_beta                 111.798(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   14.5287(5)
_cell_length_b                   14.0469(3)
_cell_length_c                   15.7245(5)
_cell_measurement_reflns_used    36823
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      29.18
_cell_measurement_theta_min      2.41
_cell_volume                     2979.65(17)
_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      293(2)
_diffrn_detector_area_resol_mean '0.15 mm'
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.1113
_diffrn_reflns_av_sigmaI/netI    0.0597
_diffrn_reflns_limit_h_max       19
_diffrn_reflns_limit_h_min       -19
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -19
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            36823
_diffrn_reflns_theta_full        29.18
_diffrn_reflns_theta_max         29.18
_diffrn_reflns_theta_min         2.41
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    10.692
_exptl_absorpt_correction_T_max  0.0421
_exptl_absorpt_correction_T_min  0.0221
_exptl_absorpt_correction_type   numerical
_exptl_absorpt_process_details   'shape of crystal determined optically'
_exptl_crystal_colour            Colorless
_exptl_crystal_density_diffrn    2.326
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Block
_exptl_crystal_F_000             1952
_exptl_crystal_size_max          0.45
_exptl_crystal_size_mid          0.35
_exptl_crystal_size_min          0.30
_refine_diff_density_max         2.015
_refine_diff_density_min         -2.206
_refine_diff_density_rms         0.237
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.231
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         8021
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.231
_refine_ls_R_factor_all          0.0727
_refine_ls_R_factor_gt           0.0574
_refine_ls_shift/su_max          0.014
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0368P)²+9.3675P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1165
_refine_ls_wR_factor_ref         0.1225
_reflns_number_gt                6548
_reflns_number_total             8021
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c4dt03518f2.cif
_cod_data_source_block           f:\solution\619-r-sol\kh619-r-abs1
_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 3008 2015-01-20 13:52:24Z robertas 

 Adding full bibliography for 7033842--7033846.cif.
;
_cod_original_cell_volume        2979.65(15)
_cod_original_sg_symbol_H-M      P21/n
_cod_database_code               7033842
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x-1/2, -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_adp_type
_atom_site_occupancy
_atom_site_symmetry_multiplicity
_atom_site_calc_flag
_atom_site_refinement_flags
C1 C 0.3829(6) 1.4860(6) 0.5343(5) 0.0375(16) Uani 1 1 d .
H1 H 0.3990 1.5189 0.4904 0.045 Uiso 1 1 calc R
C2 C 0.3641(6) 1.5370(6) 0.6019(5) 0.0354(15) Uani 1 1 d .
H2 H 0.3707 1.6029 0.6038 0.042 Uiso 1 1 calc R
C3 C 0.3339(6) 1.3989(5) 0.6619(5) 0.0322(15) Uani 1 1 d .
H3 H 0.3167 1.3662 0.7052 0.039 Uiso 1 1 calc R
C4 C 0.3561(5) 1.3482(5) 0.5961(5) 0.0294(14) Uani 1 1 d .
C5 C 0.3586(5) 1.2406(5) 0.6005(4) 0.0266(13) Uani 1 1 d .
C6 C 0.3564(5) 1.1000(5) 0.5068(5) 0.0263(13) Uani 1 1 d .
C7 C 0.3154(5) 1.0661(5) 0.4157(5) 0.0286(13) Uani 1 1 d .
H7 H 0.2809 1.1089 0.3697 0.034 Uiso 1 1 calc R
C8 C 0.3742(5) 0.9130(5) 0.4596(4) 0.0250(12) Uani 1 1 d .
C9 C 0.3867(5) 0.8187(5) 0.4358(5) 0.0315(14) Uani 1 1 d .
H9 H 0.3600 0.7995 0.3749 0.038 Uiso 1 1 calc R
C10 C 0.4377(6) 0.7556(5) 0.5020(5) 0.0363(15) Uani 1 1 d .
H10 H 0.4469 0.6938 0.4854 0.044 Uiso 1 1 calc R
C11 C 0.4770(6) 0.7814(5) 0.5948(5) 0.0380(16) Uani 1 1 d .
H11 H 0.5107 0.7368 0.6393 0.046 Uiso 1 1 calc R
C12 C 0.4653(6) 0.8727(6) 0.6194(5) 0.0369(15) Uani 1 1 d .
H12 H 0.4913 0.8900 0.6809 0.044 Uiso 1 1 calc R
C13 C 0.4140(5) 0.9416(5) 0.5525(4) 0.0274(13) Uani 1 1 d .
C14 C 0.4057(5) 1.0376(5) 0.5751(4) 0.0300(14) Uani 1 1 d .
H14 H 0.4333 1.0581 0.6356 0.036 Uiso 1 1 calc R
C15 C 0.1259(6) 0.5463(6) 0.4685(5) 0.0382(16) Uani 1 1 d .
H15 H 0.1124 0.5126 0.5135 0.046 Uiso 1 1 calc R
C16 C 0.1449(6) 0.4971(5) 0.4011(5) 0.0343(15) Uani 1 1 d .
H16 H 0.1405 0.4311 0.4001 0.041 Uiso 1 1 calc R
C17 C 0.1676(6) 0.6355(6) 0.3382(5) 0.0358(16) Uani 1 1 d .
H17 H 0.1823 0.6687 0.2936 0.043 Uiso 1 1 calc R
C18 C 0.1446(5) 0.6856(5) 0.4036(5) 0.0298(14) Uani 1 1 d .
C19 C 0.1375(5) 0.7922(5) 0.3994(5) 0.0312(14) Uani 1 1 d .
C20 C 0.1365(5) 0.9314(5) 0.4929(5) 0.0304(14) Uani 1 1 d .
C21 C 0.1771(5) 0.9649(5) 0.5838(4) 0.0285(13) Uani 1 1 d .
H21 H 0.2098 0.9214 0.6297 0.034 Uiso 1 1 calc R
C22 C 0.1225(5) 1.1190(5) 0.5413(4) 0.0255(12) Uani 1 1 d .
C23 C 0.1156(6) 1.2151(5) 0.5654(5) 0.0354(15) Uani 1 1 d .
H23 H 0.1443 1.2343 0.6262 0.043 Uiso 1 1 calc R
C24 C 0.0668(6) 1.2794(6) 0.4991(6) 0.0394(17) Uani 1 1 d .
H24 H 0.0596 1.3417 0.5154 0.047 Uiso 1 1 calc R
C25 C 0.0271(6) 1.2526(6) 0.4060(6) 0.0432(18) Uani 1 1 d .
H25 H -0.0036 1.2980 0.3614 0.052 Uiso 1 1 calc R
C26 C 0.0335(6) 1.1612(6) 0.3810(5) 0.0394(16) Uani 1 1 d .
H26 H 0.0060 1.1441 0.3195 0.047 Uiso 1 1 calc R
C27 C 0.0820(5) 1.0912(5) 0.4483(5) 0.0299(14) Uani 1 1 d .
C28 C 0.0886(5) 0.9949(5) 0.4252(5) 0.0308(14) Uani 1 1 d .
H28 H 0.0608 0.9751 0.3645 0.037 Uiso 1 1 calc R
N1 N 0.3786(5) 1.3909(4) 0.5307(4) 0.0317(12) Uani 1 1 d .
N2 N 0.3368(5) 1.4935(5) 0.6637(5) 0.0376(14) Uani 1 1 d .
N3 N 0.3478(5) 1.1975(4) 0.5203(4) 0.0303(12) Uani 1 1 d .
H3B H 0.3343 1.2336 0.4731 0.036 Uiso 1 1 calc R
N4 N 0.3233(4) 0.9781(4) 0.3925(4) 0.0286(11) Uani 1 1 d .
N5 N 0.1264(5) 0.6407(4) 0.4708(4) 0.0333(13) Uani 1 1 d .
N6 N 0.1691(5) 0.5402(4) 0.3381(4) 0.0351(13) Uani 1 1 d .
N7 N 0.1456(5) 0.8341(4) 0.4794(4) 0.0319(12) Uani 1 1 d .
H7B H 0.1574 0.7975 0.5262 0.038 Uiso 1 1 calc R
N8 N 0.1719(4) 1.0539(4) 0.6082(4) 0.0303(12) Uani 1 1 d .
O1 O 0.3708(5) 1.1997(4) 0.6723(4) 0.0417(13) Uani 1 1 d .
O2 O 0.1248(5) 0.8343(4) 0.3278(4) 0.0464(14) Uani 1 1 d .
Hg1 Hg 0.26644(2) 1.09545(2) 0.762861(19) 0.03514(9) Uani 1 1 d .
Hg2 Hg 0.22715(2) 0.93850(2) 0.236580(19) 0.03623(9) Uani 1 1 d .
Cl1 Cl 0.39039(16) 0.97647(17) 0.80400(14) 0.0483(5) Uani 1 1 d .
Cl2 Cl 0.22029(19) 1.23951(14) 0.81161(14) 0.0475(5) Uani 1 1 d .
Cl3 Cl 0.10987(16) 1.06257(17) 0.20006(15) 0.0476(5) Uani 1 1 d .
Cl4 Cl 0.27307(19) 0.79412(14) 0.18824(13) 0.0488(5) 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'
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_3
N1 C1 C2 121.8(7) .
N1 C1 H1 119.1 .
C2 C1 H1 119.1 .
N2 C2 C1 121.3(7) .
N2 C2 H2 119.4 .
C1 C2 H2 119.4 .
N2 C3 C4 120.9(7) .
N2 C3 H3 119.5 .
C4 C3 H3 119.5 .
N1 C4 C3 122.4(6) .
N1 C4 C5 118.5(6) .
C3 C4 C5 119.1(6) .
O1 C5 N3 125.2(6) .
O1 C5 C4 120.5(6) .
N3 C5 C4 114.3(6) .
C14 C6 N3 124.0(6) .
C14 C6 C7 118.8(6) .
N3 C6 C7 117.1(6) .
N4 C7 C6 123.6(6) .
N4 C7 H7 118.2 .
C6 C7 H7 118.2 .
N4 C8 C9 120.3(6) .
N4 C8 C13 119.8(6) .
C9 C8 C13 119.9(6) .
C10 C9 C8 119.9(7) .
C10 C9 H9 120.1 .
C8 C9 H9 120.1 .
C9 C10 C11 121.6(7) .
C9 C10 H10 119.2 .
C11 C10 H10 119.2 .
C12 C11 C10 119.4(7) .
C12 C11 H11 120.3 .
C10 C11 H11 120.3 .
C11 C12 C13 121.0(7) .
C11 C12 H12 119.5 .
C13 C12 H12 119.5 .
C14 C13 C8 119.4(6) .
C14 C13 C12 122.3(6) .
C8 C13 C12 118.2(6) .
C6 C14 C13 118.9(6) .
C6 C14 H14 120.5 .
C13 C14 H14 120.5 .
N5 C15 C16 121.5(7) .
N5 C15 H15 119.3 .
C16 C15 H15 119.3 .
N6 C16 C15 122.4(7) .
N6 C16 H16 118.8 .
C15 C16 H16 118.8 .
N6 C17 C18 121.2(7) .
N6 C17 H17 119.4 .
C18 C17 H17 119.4 .
N5 C18 C17 121.3(7) .
N5 C18 C19 118.3(6) .
C17 C18 C19 120.4(6) .
O2 C19 N7 125.2(7) .
O2 C19 C18 120.5(6) .
N7 C19 C18 114.3(6) .
C28 C20 N7 124.9(6) .
C28 C20 C21 118.2(6) .
N7 C20 C21 116.9(6) .
N8 C21 C20 124.3(6) .
N8 C21 H21 117.8 .
C20 C21 H21 117.8 .
N8 C22 C27 120.3(6) .
N8 C22 C23 119.9(6) .
C27 C22 C23 119.8(6) .
C24 C23 C22 119.7(7) .
C24 C23 H23 120.1 .
C22 C23 H23 120.1 .
C23 C24 C25 120.9(7) .
C23 C24 H24 119.6 .
C25 C24 H24 119.6 .
C26 C25 C24 120.5(7) .
C26 C25 H25 119.8 .
C24 C25 H25 119.8 .
C25 C26 C27 120.4(7) .
C25 C26 H26 119.8 .
C27 C26 H26 119.8 .
C28 C27 C22 119.3(6) .
C28 C27 C26 122.1(7) .
C22 C27 C26 118.6(7) .
C20 C28 C27 119.3(6) .
C20 C28 H28 120.4 .
C27 C28 H28 120.4 .
C4 N1 C1 116.0(6) .
C2 N2 C3 117.4(6) .
C2 N2 Hg1 116.4(5) 2_556
C3 N2 Hg1 122.3(5) 2_556
C5 N3 C6 126.4(6) .
C5 N3 H3B 116.8 .
C6 N3 H3B 116.8 .
C7 N4 C8 119.4(6) .
C7 N4 Hg2 115.3(4) .
C8 N4 Hg2 124.8(4) .
C15 N5 C18 116.7(6) .
C16 N6 C17 116.7(6) .
C16 N6 Hg2 116.2(5) 2_545
C17 N6 Hg2 123.5(5) 2_545
C19 N7 C20 125.8(6) .
C19 N7 H7B 117.1 .
C20 N7 H7B 117.1 .
C21 N8 C22 118.6(6) .
C21 N8 Hg1 117.1(5) .
C22 N8 Hg1 123.8(4) .
Cl2 Hg1 Cl1 143.20(8) .
Cl2 Hg1 N8 114.76(15) .
Cl1 Hg1 N8 101.42(15) .
Cl2 Hg1 N2 92.71(16) 2_546
Cl1 Hg1 N2 89.74(16) 2_546
N8 Hg1 N2 96.2(2) 2_546
Cl4 Hg2 Cl3 145.82(8) .
Cl4 Hg2 N4 113.86(15) .
Cl3 Hg2 N4 99.90(15) .
Cl4 Hg2 N6 92.60(15) 2
Cl3 Hg2 N6 88.42(15) 2
N4 Hg2 N6 96.7(2) 2
loop_
_geom_bond_atom_site_label_1
_geom_bond_atom_site_label_2
_geom_bond_distance
_geom_bond_site_symmetry_2
C1 N1 1.338(10) .
C1 C2 1.390(10) .
C1 H1 0.9300 .
C2 N2 1.327(10) .
C2 H2 0.9300 .
C3 N2 1.329(10) .
C3 C4 1.388(9) .
C3 H3 0.9300 .
C4 N1 1.332(9) .
C4 C5 1.512(10) .
C5 O1 1.219(8) .
C5 N3 1.355(8) .
C6 C14 1.365(9) .
C6 N3 1.399(9) .
C6 C7 1.414(9) .
C7 N4 1.306(9) .
C7 H7 0.9300 .
C8 N4 1.385(8) .
C8 C9 1.407(9) .
C8 C13 1.414(9) .
C9 C10 1.358(10) .
C9 H9 0.9300 .
C10 C11 1.403(11) .
C10 H10 0.9300 .
C11 C12 1.369(11) .
C11 H11 0.9300 .
C12 C13 1.420(10) .
C12 H12 0.9300 .
C13 C14 1.412(10) .
C14 H14 0.9300 .
C15 N5 1.327(10) .
C15 C16 1.376(10) .
C15 H15 0.9300 .
C16 N6 1.315(9) .
C16 H16 0.9300 .
C17 N6 1.340(10) .
C17 C18 1.385(9) .
C17 H17 0.9300 .
C18 N5 1.339(9) .
C18 C19 1.500(10) .
C19 O2 1.224(9) .
C19 N7 1.354(9) .
C20 C28 1.365(10) .
C20 N7 1.397(9) .
C20 C21 1.411(9) .
C21 N8 1.317(9) .
C21 H21 0.9300 .
C22 N8 1.378(8) .
C22 C27 1.414(9) .
C22 C23 1.415(10) .
C23 C24 1.362(11) .
C23 H23 0.9300 .
C24 C25 1.411(12) .
C24 H24 0.9300 .
C25 C26 1.356(12) .
C25 H25 0.9300 .
C26 C27 1.425(10) .
C26 H26 0.9300 .
C27 C28 1.413(10) .
C28 H28 0.9300 .
N2 Hg1 2.631(6) 2_556
N3 H3B 0.8600 .
N4 Hg2 2.393(5) .
N6 Hg2 2.647(6) 2_545
N7 H7B 0.8600 .
N8 Hg1 2.380(6) .
Hg1 Cl2 2.348(2) .
Hg1 Cl1 2.364(2) .
Hg1 N2 2.631(6) 2_546
Hg2 Cl4 2.348(2) .
Hg2 Cl3 2.354(2) .
Hg2 N6 2.647(6) 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
N1 C1 C2 N2 -2.9(12) .
N2 C3 C4 N1 -1.8(11) .
N2 C3 C4 C5 175.9(7) .
N1 C4 C5 O1 156.0(7) .
C3 C4 C5 O1 -21.9(10) .
N1 C4 C5 N3 -23.1(9) .
C3 C4 C5 N3 159.1(6) .
C14 C6 C7 N4 -1.2(11) .
N3 C6 C7 N4 175.7(7) .
N4 C8 C9 C10 179.2(7) .
C13 C8 C9 C10 -0.6(10) .
C8 C9 C10 C11 1.5(12) .
C9 C10 C11 C12 -1.2(12) .
C10 C11 C12 C13 0.0(12) .
N4 C8 C13 C14 -3.2(10) .
C9 C8 C13 C14 176.6(6) .
N4 C8 C13 C12 179.7(6) .
C9 C8 C13 C12 -0.5(10) .
C11 C12 C13 C14 -176.2(7) .
C11 C12 C13 C8 0.8(11) .
N3 C6 C14 C13 -176.7(6) .
C7 C6 C14 C13 0.0(10) .
C8 C13 C14 C6 2.1(10) .
C12 C13 C14 C6 179.1(7) .
N5 C15 C16 N6 3.3(13) .
N6 C17 C18 N5 2.3(11) .
N6 C17 C18 C19 -176.4(7) .
N5 C18 C19 O2 -158.7(7) .
C17 C18 C19 O2 20.0(11) .
N5 C18 C19 N7 20.9(10) .
C17 C18 C19 N7 -160.4(7) .
C28 C20 C21 N8 0.2(11) .
N7 C20 C21 N8 -177.8(7) .
N8 C22 C23 C24 179.9(7) .
C27 C22 C23 C24 2.4(11) .
C22 C23 C24 C25 -3.2(12) .
C23 C24 C25 C26 2.6(13) .
C24 C25 C26 C27 -1.1(13) .
N8 C22 C27 C28 2.9(10) .
C23 C22 C27 C28 -179.5(7) .
N8 C22 C27 C26 -178.5(6) .
C23 C22 C27 C26 -1.0(10) .
C25 C26 C27 C28 178.9(8) .
C25 C26 C27 C22 0.4(12) .
N7 C20 C28 C27 178.0(7) .
C21 C20 C28 C27 0.2(10) .
C22 C27 C28 C20 -1.8(10) .
C26 C27 C28 C20 179.7(7) .
C3 C4 N1 C1 2.9(10) .
C5 C4 N1 C1 -174.9(7) .
C2 C1 N1 C4 -0.6(11) .
C1 C2 N2 C3 3.9(11) .
C1 C2 N2 Hg1 -154.6(6) 2_556
C4 C3 N2 C2 -1.6(11) .
C4 C3 N2 Hg1 155.5(5) 2_556
O1 C5 N3 C6 -5.4(12) .
C4 C5 N3 C6 173.6(6) .
C14 C6 N3 C5 -20.9(11) .
C7 C6 N3 C5 162.3(7) .
C6 C7 N4 C8 0.1(10) .
C6 C7 N4 Hg2 172.0(5) .
C9 C8 N4 C7 -177.7(6) .
C13 C8 N4 C7 2.1(9) .
C9 C8 N4 Hg2 11.3(8) .
C13 C8 N4 Hg2 -168.9(5) .
C16 C15 N5 C18 1.1(12) .
C17 C18 N5 C15 -3.7(11) .
C19 C18 N5 C15 175.0(7) .
C15 C16 N6 C17 -4.6(12) .
C15 C16 N6 Hg2 154.9(6) 2_545
C18 C17 N6 C16 1.9(11) .
C18 C17 N6 Hg2 -156.0(5) 2_545
O2 C19 N7 C20 3.1(12) .
C18 C19 N7 C20 -176.5(6) .
C28 C20 N7 C19 21.7(12) .
C21 C20 N7 C19 -160.6(7) .
C20 C21 N8 C22 1.0(10) .
C20 C21 N8 Hg1 -171.5(5) .
C27 C22 N8 C21 -2.5(10) .
C23 C22 N8 C21 180.0(7) .
C27 C22 N8 Hg1 169.4(5) .
C23 C22 N8 Hg1 -8.1(9) .
C21 N8 Hg1 Cl2 -163.7(5) .
C22 N8 Hg1 Cl2 24.3(6) .
C21 N8 Hg1 Cl1 23.2(5) .
C22 N8 Hg1 Cl1 -148.8(5) .
C21 N8 Hg1 N2 -67.8(5) 2_546
C22 N8 Hg1 N2 120.2(5) 2_546
C7 N4 Hg2 Cl4 165.4(4) .
C8 N4 Hg2 Cl4 -23.2(5) .
C7 N4 Hg2 Cl3 -20.0(5) .
C8 N4 Hg2 Cl3 151.3(5) .
C7 N4 Hg2 N6 69.6(5) 2
C8 N4 Hg2 N6 -119.1(5) 2
