#------------------------------------------------------------------------------
#$Date: 2016-02-20 00:18:51 +0200 (Sat, 20 Feb 2016) $
#$Revision: 176760 $
#$URL: svn://www.crystallography.net/cod/cif/2/01/90/2019055.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_2019055
loop_
_publ_author_name
'Wu, Xiao-Liu'
'Zhang, Xiao-Min'
'Huang, Shu-Yun'
'Zhou, Wei-Na'
'Wang, Zhi-Chang'
_publ_section_title
;
 A novel two-dimensional metal--organic supramolecular framework including
 π--π stacking and hydrogen-bond interactions
;
_journal_coeditor_code           SF3199
_journal_issue                   7
_journal_name_full               'Acta Crystallographica Section C'
_journal_page_first              730
_journal_page_last               733
_journal_paper_doi               10.1107/S0108270113015151
_journal_volume                  69
_journal_year                    2013
_chemical_formula_iupac          '[Hg2 I4 (C18 N4 H14 O2)3]'
_chemical_formula_moiety         'C54 H42 N12 O6 I4 Hg2'
_chemical_formula_sum            'C54 H42 Hg2 I4 N12 O6'
_chemical_formula_weight         1863.78
_chemical_name_systematic
'[μ-N,N'-Bis(pyridin-3-yl)benzene-1,4-dicarboxamide-1:2κ²N:N']bis{[N,N'-bis(pyridin-3-yl)benzene-1,4-dicarboxamide-κN]diiodidomercury(II)}'
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_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           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 98.059(5)
_cell_angle_gamma                90.00
_cell_formula_units_Z            2
_cell_length_a                   18.416(3)
_cell_length_b                   9.2907(17)
_cell_length_c                   16.229(3)
_cell_measurement_reflns_used    4787
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      25.10
_cell_measurement_theta_min      2.23
_cell_volume                     2749.3(8)
_computing_cell_refinement       'SAINT (Bruker, 2008)'
_computing_data_collection       'APEX2 (Bruker, 2008)'
_computing_data_reduction        'SAINT (Bruker, 2008)'
_computing_molecular_graphics    'DIAMOND (Brandenburg, 2005)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type  'Bruker APEXII CCD area-detector'
_diffrn_measurement_method       'φ and ω 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  0.0509
_diffrn_reflns_av_sigmaI/netI    0.0470
_diffrn_reflns_limit_h_max       22
_diffrn_reflns_limit_h_min       -22
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       20
_diffrn_reflns_limit_l_min       -17
_diffrn_reflns_number            21841
_diffrn_reflns_theta_full        26.00
_diffrn_reflns_theta_max         26.00
_diffrn_reflns_theta_min         1.12
_exptl_absorpt_coefficient_mu    7.885
_exptl_absorpt_correction_T_max  0.4513
_exptl_absorpt_correction_T_min  0.2882
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Sheldrick, 1996)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.251
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1740
_exptl_crystal_size_max          0.21
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.12
_refine_diff_density_max         0.684
_refine_diff_density_min         -1.110
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.058
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         5397
_refine_ls_number_restraints     3
_refine_ls_restrained_S_all      1.058
_refine_ls_R_factor_all          0.0462
_refine_ls_R_factor_gt           0.0295
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0424P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0706
_refine_ls_wR_factor_ref         0.0883
_reflns_number_gt                4213
_reflns_number_total             5397
_reflns_threshold_expression     I>2σ(I)
_cod_data_source_file            sf3199.cif
_cod_data_source_block           I
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2019055
_cod_database_fobs_code          2019055
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_type_symbol
_atom_site_label
_atom_site_fract_x
_atom_site_fract_y
_atom_site_fract_z
_atom_site_U_iso_or_equiv
_atom_site_adp_type
_atom_site_calc_flag
_atom_site_refinement_flags
_atom_site_occupancy
_atom_site_symmetry_multiplicity
C C1 0.8957(3) 0.4349(7) 0.3839(4) 0.0498(16) Uani d . 1 1
H H1 0.9340 0.4374 0.3522 0.060 Uiso calc R 1 1
C C2 0.8476(4) 0.3208(8) 0.3732(5) 0.0548(18) Uani d . 1 1
H H2 0.8543 0.2464 0.3367 0.066 Uiso calc R 1 1
C C3 0.7891(3) 0.3199(7) 0.4182(4) 0.0450(16) Uani d . 1 1
H H3 0.7548 0.2457 0.4114 0.054 Uiso calc R 1 1
C C4 0.7823(3) 0.4298(6) 0.4728(3) 0.0345(13) Uani d . 1 1
C C5 0.8347(3) 0.5373(6) 0.4822(4) 0.0351(13) Uani d . 1 1
H H5 0.8315 0.6094 0.5212 0.042 Uiso calc R 1 1
C C6 0.6792(3) 0.5446(6) 0.5278(3) 0.0319(13) Uani d . 1 1
C C7 0.6140(3) 0.5124(6) 0.5705(3) 0.0277(12) Uani d . 1 1
C C8 0.5929(3) 0.6119(6) 0.6259(3) 0.0323(12) Uani d . 1 1
H H8 0.6207 0.6947 0.6380 0.039 Uiso calc R 1 1
C C9 0.5309(3) 0.5900(6) 0.6638(3) 0.0339(13) Uani d . 1 1
H H9 0.5179 0.6562 0.7022 0.041 Uiso calc R 1 1
C C10 0.4878(3) 0.4670(6) 0.6436(3) 0.0262(11) Uani d . 1 1
C C11 0.5096(3) 0.3667(6) 0.5884(3) 0.0317(12) Uani d . 1 1
H H11 0.4825 0.2830 0.5766 0.038 Uiso calc R 1 1
C C12 0.5714(3) 0.3908(6) 0.5510(3) 0.0325(12) Uani d . 1 1
H H12 0.5845 0.3249 0.5125 0.039 Uiso calc R 1 1
C C13 0.4225(3) 0.4352(6) 0.6841(3) 0.0298(12) Uani d . 1 1
C C14 0.3281(3) 0.6662(6) 0.8123(4) 0.0353(13) Uani d . 1 1
H H14 0.3618 0.7403 0.8104 0.042 Uiso calc R 1 1
C C15 0.3302(3) 0.5505(6) 0.7581(3) 0.0287(12) Uani d . 1 1
C C16 0.2807(3) 0.4406(7) 0.7618(4) 0.0447(15) Uani d . 1 1
H H16 0.2800 0.3617 0.7264 0.054 Uiso calc R 1 1
C C17 0.2322(3) 0.4498(7) 0.8190(4) 0.0517(17) Uani d . 1 1
H H17 0.1987 0.3762 0.8229 0.062 Uiso calc R 1 1
C C18 0.2334(3) 0.5673(7) 0.8700(4) 0.0469(16) Uani d . 1 1
H H18 0.2004 0.5715 0.9083 0.056 Uiso calc R 1 1
C C19 0.8551(3) 0.9105(7) 0.2905(4) 0.0393(14) Uani d . 1 1
H H19 0.8964 0.8998 0.2640 0.047 Uiso calc R 1 1
C C20 0.7931(3) 0.9691(7) 0.2468(4) 0.0432(15) Uani d . 1 1
H H20 0.7930 0.9990 0.1921 0.052 Uiso calc R 1 1
C C21 0.7303(3) 0.9835(6) 0.2845(3) 0.0358(13) Uani d . 1 1
H H21 0.6874 1.0221 0.2558 0.043 Uiso calc R 1 1
C C22 0.7335(3) 0.9388(6) 0.3662(3) 0.0288(12) Uani d . 1 1
C C23 0.7986(3) 0.8838(7) 0.4054(3) 0.0353(13) Uani d . 1 1
H H23 0.8010 0.8555 0.4607 0.042 Uiso calc R 1 1
C C24 0.6165(3) 1.0375(6) 0.3999(3) 0.0282(12) Uani d . 1 1
C C25 0.5570(3) 1.0144(5) 0.4525(3) 0.0267(12) Uani d . 1 1
C C26 0.4857(3) 1.0538(6) 0.4201(3) 0.0303(12) Uani d . 1 1
H H26 0.4761 1.0903 0.3663 0.036 Uiso calc R 1 1
C C27 0.5705(3) 0.9609(6) 0.5330(3) 0.0313(13) Uani d . 1 1
H H27 0.6179 0.9347 0.5554 0.038 Uiso calc R 1 1
Hg Hg1 0.971813(12) 0.75840(3) 0.449105(15) 0.04003(9) Uani d . 1 1
I I1 0.95304(2) 0.85421(5) 0.59730(3) 0.05171(14) Uani d . 1 1
I I2 1.05662(2) 0.69367(5) 0.33796(3) 0.05282(14) Uani d . 1 1
N N1 0.8902(2) 0.5404(5) 0.4365(3) 0.0396(12) Uani d . 1 1
N N2 0.7227(2) 0.4295(5) 0.5198(3) 0.0335(11) Uani d D 1 1
H H2M 0.718(3) 0.349(3) 0.545(3) 0.040 Uiso d D 1 1
N N3 0.3838(3) 0.5535(5) 0.7044(3) 0.0348(11) Uani d D 1 1
H H3M 0.397(3) 0.638(3) 0.691(4) 0.042 Uiso d D 1 1
N N4 0.2805(3) 0.6767(6) 0.8668(3) 0.0399(12) Uani d . 1 1
N N5 0.8585(2) 0.8687(5) 0.3689(3) 0.0386(12) Uani d . 1 1
N N6 0.6730(2) 0.9421(5) 0.4109(3) 0.0312(10) Uani d D 1 1
H H6M 0.669(3) 0.871(4) 0.444(3) 0.037 Uiso d D 1 1
O O1 0.6918(2) 0.6658(4) 0.5033(3) 0.0473(11) Uani d . 1 1
O O2 0.4054(2) 0.3127(4) 0.6992(3) 0.0426(10) Uani d . 1 1
O O3 0.6137(2) 1.1375(4) 0.3504(3) 0.0471(11) Uani d . 1 1
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'
O O 0.0106 0.0060 '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'
Hg Hg -2.3894 9.2266 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
I I -0.4742 1.8119 '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
_geom_angle_publ_flag
N1 C1 C2 . 123.3(6) ?
N1 C1 H1 . 118.3 ?
C2 C1 H1 . 118.3 ?
C1 C2 C3 . 118.2(6) ?
C1 C2 H2 . 120.9 ?
C3 C2 H2 . 120.9 ?
C4 C3 C2 . 119.0(6) ?
C4 C3 H3 . 120.5 ?
C2 C3 H3 . 120.5 ?
C3 C4 C5 . 119.0(5) ?
C3 C4 N2 . 119.5(5) ?
C5 C4 N2 . 121.5(5) ?
N1 C5 C4 . 121.9(5) ?
N1 C5 H5 . 119.1 ?
C4 C5 H5 . 119.1 ?
O1 C6 N2 . 123.5(5) ?
O1 C6 C7 . 122.2(5) ?
N2 C6 C7 . 114.2(5) ?
C8 C7 C12 . 119.4(5) ?
C8 C7 C6 . 118.9(5) ?
C12 C7 C6 . 121.5(5) ?
C7 C8 C9 . 121.0(5) ?
C7 C8 H8 . 119.5 ?
C9 C8 H8 . 119.5 ?
C8 C9 C10 . 119.3(5) ?
C8 C9 H9 . 120.3 ?
C10 C9 H9 . 120.3 ?
C11 C10 C9 . 119.4(5) ?
C11 C10 C13 . 118.6(5) ?
C9 C10 C13 . 121.8(5) ?
C12 C11 C10 . 120.3(5) ?
C12 C11 H11 . 119.8 ?
C10 C11 H11 . 119.8 ?
C11 C12 C7 . 120.4(5) ?
C11 C12 H12 . 119.8 ?
C7 C12 H12 . 119.8 ?
O2 C13 N3 . 122.9(5) ?
O2 C13 C10 . 121.8(5) ?
N3 C13 C10 . 115.3(5) ?
N4 C14 C15 . 123.7(5) ?
N4 C14 H14 . 118.2 ?
C15 C14 H14 . 118.2 ?
C16 C15 C14 . 117.9(5) ?
C16 C15 N3 . 124.7(5) ?
C14 C15 N3 . 117.4(5) ?
C15 C16 C17 . 118.6(6) ?
C15 C16 H16 . 120.7 ?
C17 C16 H16 . 120.7 ?
C18 C17 C16 . 120.0(6) ?
C18 C17 H17 . 120.0 ?
C16 C17 H17 . 120.0 ?
N4 C18 C17 . 122.5(6) ?
N4 C18 H18 . 118.7 ?
C17 C18 H18 . 118.7 ?
N5 C19 C20 . 122.5(5) ?
N5 C19 H19 . 118.7 ?
C20 C19 H19 . 118.7 ?
C19 C20 C21 . 119.8(5) ?
C19 C20 H20 . 120.1 ?
C21 C20 H20 . 120.1 ?
C22 C21 C20 . 117.8(5) ?
C22 C21 H21 . 121.1 ?
C20 C21 H21 . 121.1 ?
C23 C22 C21 . 118.2(5) ?
C23 C22 N6 . 118.1(5) ?
C21 C22 N6 . 123.7(5) ?
N5 C23 C22 . 123.8(5) ?
N5 C23 H23 . 118.1 ?
C22 C23 H23 . 118.1 ?
O3 C24 N6 . 122.8(5) ?
O3 C24 C25 . 121.1(5) ?
N6 C24 C25 . 116.1(5) ?
C27 C25 C26 . 119.1(5) ?
C27 C25 C24 . 122.6(4) ?
C26 C25 C24 . 118.3(5) ?
C27 C26 C25 3_676 120.5(5) ?
C27 C26 H26 3_676 119.7 ?
C25 C26 H26 . 119.7 ?
C26 C27 C25 3_676 120.4(5) ?
C26 C27 H27 3_676 119.8 ?
C25 C27 H27 . 119.8 ?
N1 Hg1 N5 . 80.97(16) yes
N1 Hg1 I2 . 99.61(11) yes
N5 Hg1 I2 . 105.58(11) yes
N1 Hg1 I1 . 101.12(11) yes
N5 Hg1 I1 . 97.44(11) yes
I2 Hg1 I1 . 151.070(18) yes
C1 N1 C5 . 118.5(5) ?
C1 N1 Hg1 . 123.6(4) ?
C5 N1 Hg1 . 117.7(4) ?
C6 N2 C4 . 124.2(5) ?
C6 N2 H2M . 122(4) ?
C4 N2 H2M . 113(4) ?
C13 N3 C15 . 124.4(5) ?
C13 N3 H3M . 119(4) ?
C15 N3 H3M . 116(4) ?
C14 N4 C18 . 117.3(5) ?
C19 N5 C23 . 117.8(5) ?
C19 N5 Hg1 . 122.8(3) ?
C23 N5 Hg1 . 119.4(4) ?
C24 N6 C22 . 126.2(5) ?
C24 N6 H6M . 117(4) ?
C22 N6 H6M . 117(4) ?
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
C1 N1 . 1.314(8) ?
C1 C2 . 1.376(9) ?
C1 H1 . 0.9300 ?
C2 C3 . 1.385(8) ?
C2 H2 . 0.9300 ?
C3 C4 . 1.369(8) ?
C3 H3 . 0.9300 ?
C4 C5 . 1.382(8) ?
C4 N2 . 1.422(7) ?
C5 N1 . 1.343(7) ?
C5 H5 . 0.9300 ?
C6 O1 . 1.227(7) ?
C6 N2 . 1.353(7) ?
C6 C7 . 1.499(7) ?
C7 C8 . 1.383(7) ?
C7 C12 . 1.386(7) ?
C8 C9 . 1.385(7) ?
C8 H8 . 0.9300 ?
C9 C10 . 1.403(7) ?
C9 H9 . 0.9300 ?
C10 C11 . 1.391(7) ?
C10 C13 . 1.479(7) ?
C11 C12 . 1.380(7) ?
C11 H11 . 0.9300 ?
C12 H12 . 0.9300 ?
C13 O2 . 1.215(6) ?
C13 N3 . 1.375(7) ?
C14 N4 . 1.333(7) ?
C14 C15 . 1.393(8) ?
C14 H14 . 0.9300 ?
C15 C16 . 1.376(8) ?
C15 N3 . 1.406(7) ?
C16 C17 . 1.378(8) ?
C16 H16 . 0.9300 ?
C17 C18 . 1.368(9) ?
C17 H17 . 0.9300 ?
C18 N4 . 1.342(8) ?
C18 H18 . 0.9300 ?
C19 N5 . 1.323(7) ?
C19 C20 . 1.370(8) ?
C19 H19 . 0.9300 ?
C20 C21 . 1.389(8) ?
C20 H20 . 0.9300 ?
C21 C22 . 1.383(7) ?
C21 H21 . 0.9300 ?
C22 C23 . 1.375(7) ?
C22 N6 . 1.413(6) ?
C23 N5 . 1.331(7) ?
C23 H23 . 0.9300 ?
C24 O3 . 1.224(6) ?
C24 N6 . 1.359(7) ?
C24 C25 . 1.497(7) ?
C25 C27 . 1.388(7) ?
C25 C26 . 1.392(7) ?
C26 C27 3_676 1.375(7) ?
C26 H26 . 0.9300 ?
C27 C26 3_676 1.375(7) ?
C27 H27 . 0.9300 ?
Hg1 N1 . 2.514(5) yes
Hg1 N5 . 2.517(4) yes
Hg1 I2 . 2.6162(6) yes
Hg1 I1 . 2.6324(6) yes
N2 H2M . 0.858(10) ?
N3 H3M . 0.860(10) ?
N6 H6M . 0.859(10) ?
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
C1 H1 I2 . 0.93 3.31 3.967(7) 129.4
C5 H5 I1 . 0.93 3.31 3.971(6) 130.2
C17 H17 I1 2_646 0.93 3.25 3.946(6) 133.7
C21 H21 O3 . 0.93 2.44 2.905(7) 111.2
C23 H23 I1 . 0.93 3.32 3.921(5) 124.5
N2 H2M N4 2_646 0.858(10) 2.150(19) 2.989(7) 166(6)
N3 H3M O3 3_676 0.860(10) 2.19(2) 3.008(6) 158(5)
N6 H6M O1 . 0.859(10) 2.15(2) 2.969(6) 159(5)
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_4
_geom_torsion
N1 C1 C2 C3 . 2.3(11)
C1 C2 C3 C4 . -1.6(11)
C2 C3 C4 C5 . -0.9(9)
C2 C3 C4 N2 . -179.5(6)
C3 C4 C5 N1 . 3.1(9)
N2 C4 C5 N1 . -178.3(5)
O1 C6 C7 C8 . -38.8(8)
N2 C6 C7 C8 . 140.5(5)
O1 C6 C7 C12 . 136.4(6)
N2 C6 C7 C12 . -44.3(7)
C12 C7 C8 C9 . 1.6(8)
C6 C7 C8 C9 . 176.9(5)
C7 C8 C9 C10 . -1.9(8)
C8 C9 C10 C11 . 2.5(8)
C8 C9 C10 C13 . 177.8(5)
C9 C10 C11 C12 . -2.8(8)
C13 C10 C11 C12 . -178.3(5)
C10 C11 C12 C7 . 2.5(8)
C8 C7 C12 C11 . -1.9(8)
C6 C7 C12 C11 . -177.1(5)
C11 C10 C13 O2 . 30.4(8)
C9 C10 C13 O2 . -145.0(6)
C11 C10 C13 N3 . -150.7(5)
C9 C10 C13 N3 . 33.9(7)
N4 C14 C15 C16 . -0.6(9)
N4 C14 C15 N3 . -179.5(5)
C14 C15 C16 C17 . -0.5(9)
N3 C15 C16 C17 . 178.3(6)
C15 C16 C17 C18 . 0.7(10)
C16 C17 C18 N4 . 0.2(11)
N5 C19 C20 C21 . -1.3(10)
C19 C20 C21 C22 . 0.7(9)
C20 C21 C22 C23 . 0.5(8)
C20 C21 C22 N6 . -177.4(5)
C21 C22 C23 N5 . -1.2(9)
N6 C22 C23 N5 . 176.8(5)
O3 C24 C25 C27 . -145.8(6)
N6 C24 C25 C27 . 33.8(7)
O3 C24 C25 C26 . 31.6(8)
N6 C24 C25 C26 . -148.7(5)
C27 C25 C26 C27 3_676 -0.3(9)
C24 C25 C26 C27 3_676 -177.9(5)
C26 C25 C27 C26 3_676 0.3(9)
C24 C25 C27 C26 3_676 177.8(5)
C2 C1 N1 C5 . -0.2(10)
C2 C1 N1 Hg1 . -175.3(5)
C4 C5 N1 C1 . -2.5(9)
C4 C5 N1 Hg1 . 172.8(4)
N5 Hg1 N1 C1 . 103.2(5)
I2 Hg1 N1 C1 . -1.2(5)
I1 Hg1 N1 C1 . -160.9(5)
N5 Hg1 N1 C5 . -71.9(4)
I2 Hg1 N1 C5 . -176.3(4)
I1 Hg1 N1 C5 . 24.0(4)
O1 C6 N2 C4 . -8.7(9)
C7 C6 N2 C4 . 172.0(5)
C3 C4 N2 C6 . -132.2(6)
C5 C4 N2 C6 . 49.2(8)
O2 C13 N3 C15 . 12.9(8)
C10 C13 N3 C15 . -166.0(5)
C16 C15 N3 C13 . -37.8(8)
C14 C15 N3 C13 . 141.0(5)
C15 C14 N4 C18 . 1.5(9)
C17 C18 N4 C14 . -1.2(9)
C20 C19 N5 C23 . 0.6(9)
C20 C19 N5 Hg1 . 179.3(5)
C22 C23 N5 C19 . 0.7(9)
C22 C23 N5 Hg1 . -178.0(4)
N1 Hg1 N5 C19 . -110.9(5)
I2 Hg1 N5 C19 . -13.4(5)
I1 Hg1 N5 C19 . 149.0(5)
N1 Hg1 N5 C23 . 67.8(5)
I2 Hg1 N5 C23 . 165.3(4)
I1 Hg1 N5 C23 . -32.4(5)
O3 C24 N6 C22 . -3.0(9)
C25 C24 N6 C22 . 177.3(5)
C23 C22 N6 C24 . 151.7(5)
C21 C22 N6 C24 . -30.3(8)
