#------------------------------------------------------------------------------
#$Date: 2016-03-25 11:11:35 +0200 (Fri, 25 Mar 2016) $
#$Revision: 179779 $
#$URL: svn://www.crystallography.net/cod/cif/7/00/75/7007588.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_7007588
loop_
_publ_author_name
'Argent, Stephen P.'
'Adams, Harry'
'Riis-Johannessen, Thomas'
'Jeffery, John C.'
'Harding, Lindsay P.'
'Clegg, William'
'Harrington, Ross W.'
'Ward, Michael D.'
_publ_section_title
;
 Complexes of Ag(I), Hg(I) and Hg(II) with multidentate
 pyrazolyl-pyridine ligands: From mononuclear complexes to coordination
 polymers via helicates, a mesocate, a cage and a catenate.
;
_journal_issue                   42
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              4996
_journal_page_last               5013
_journal_paper_doi               10.1039/b607541j
_journal_year                    2006
_chemical_formula_moiety         'C24 H20 Hg N6, 2(Cl O4)'
_chemical_formula_sum            'C24 H20 Cl2 Hg N6 O8'
_chemical_formula_weight         791.95
_chemical_name_systematic
;
?
;
_space_group_IT_number           15
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-C 2yc'
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 116.7320(10)
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   34.5280(17)
_cell_length_b                   14.1848(6)
_cell_length_c                   16.4180(8)
_cell_measurement_reflns_used    6077
_cell_measurement_temperature    273(2)
_cell_measurement_theta_max      40.08
_cell_measurement_theta_min      4.96
_cell_volume                     7181.7(6)
_computing_cell_refinement       'Bruker Apex 2'
_computing_data_collection       'Bruker Apex 2'
_computing_data_reduction        'Bruker SAINT'
_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      123(2)
_diffrn_detector_area_resol_mean 100
_diffrn_measured_fraction_theta_full 0.954
_diffrn_measured_fraction_theta_max 0.954
_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  0.0395
_diffrn_reflns_av_sigmaI/netI    0.0610
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -44
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            44595
_diffrn_reflns_theta_full        27.47
_diffrn_reflns_theta_max         27.47
_diffrn_reflns_theta_min         1.58
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.481
_exptl_absorpt_correction_T_max  0.8070
_exptl_absorpt_correction_T_min  0.6154
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.465
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             3072
_exptl_crystal_size_max          0.12
_exptl_crystal_size_mid          0.05
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.908
_refine_diff_density_min         -0.711
_refine_diff_density_rms         0.132
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.012
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7850
_refine_ls_number_restraints     51
_refine_ls_restrained_S_all      1.009
_refine_ls_R_factor_all          0.0708
_refine_ls_R_factor_gt           0.0385
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0501P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0878
_refine_ls_wR_factor_ref         0.0940
_reflns_number_gt                5191
_reflns_number_total             7850
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            b607541j.txt
_cod_data_source_block           imw620
_cod_depositor_comments
;
The following automatic conversions were performed:
'_symmetry_cell_setting' value 'Monoclinic' changed to 'monoclinic'
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      C2/c
_cod_database_code               7007588
loop_
_symmetry_equiv_pos_as_xyz
'x, y, z'
'-x, y, -z+1/2'
'x+1/2, y+1/2, z'
'-x+1/2, y+1/2, -z+1/2'
'-x, -y, -z'
'x, -y, z-1/2'
'-x+1/2, -y+1/2, -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
_atom_site_disorder_assembly
_atom_site_disorder_group
Hg1 Hg 0.231751(6) 0.153657(14) 0.264972(12) 0.03428(8) Uani 1 1 d . . .
N11 N 0.20541(13) 0.1116(3) 0.3588(3) 0.0358(10) Uani 1 1 d . . .
C12 C 0.23120(18) 0.1190(4) 0.4499(4) 0.0390(13) Uani 1 1 d . . .
C13 C 0.2159(2) 0.0901(3) 0.5115(3) 0.0455(15) Uani 1 1 d . . .
H13A H 0.2338 0.0942 0.5739 0.055 Uiso 1 1 calc R . .
C14 C 0.1749(2) 0.0562(4) 0.4808(4) 0.0478(15) Uani 1 1 d . . .
H14A H 0.1644 0.0381 0.5215 0.057 Uiso 1 1 calc R . .
C15 C 0.14950(18) 0.0492(4) 0.3885(4) 0.0473(14) Uani 1 1 d . . .
H15A H 0.1216 0.0246 0.3664 0.057 Uiso 1 1 calc R . .
C16 C 0.16474(17) 0.0781(4) 0.3281(4) 0.0419(13) Uani 1 1 d . . .
H16A H 0.1468 0.0745 0.2657 0.050 Uiso 1 1 calc R . .
N21 N 0.28547(14) 0.1835(3) 0.4133(3) 0.0392(11) Uani 1 1 d . . .
N22 N 0.32748(14) 0.2098(3) 0.4577(3) 0.0418(11) Uani 1 1 d . . .
C23 C 0.34230(19) 0.1996(4) 0.5481(4) 0.0479(15) Uani 1 1 d . . .
H23A H 0.3702 0.2137 0.5922 0.058 Uiso 1 1 calc R . .
C24 C 0.30980(19) 0.1654(3) 0.5644(4) 0.0435(14) Uani 1 1 d . . .
H24A H 0.3106 0.1516 0.6205 0.052 Uiso 1 1 calc R . .
C25 C 0.27494(17) 0.1558(3) 0.4782(3) 0.0354(12) Uani 1 1 d . . .
C31 C 0.35000(16) 0.2459(4) 0.4065(4) 0.0469(14) Uani 1 1 d . . .
H31A H 0.3556 0.3126 0.4189 0.056 Uiso 1 1 calc R . .
H31B H 0.3313 0.2386 0.3417 0.056 Uiso 1 1 calc R . .
C32 C 0.39195(17) 0.1960(4) 0.4304(3) 0.0528(15) Uani 1 1 d DU . .
C33 C 0.4300(2) 0.2490(5) 0.4751(4) 0.083(2) Uani 1 1 d DU . .
H33A H 0.4288 0.3109 0.4926 0.100 Uiso 1 1 calc R . .
C34 C 0.4695(2) 0.2083(6) 0.4929(5) 0.117(3) Uani 1 1 d DU . .
H34A H 0.4948 0.2432 0.5229 0.141 Uiso 1 1 calc R . .
C35 C 0.4720(2) 0.1167(6) 0.4669(5) 0.102(3) Uani 1 1 d DU . .
H35 H 0.4987 0.0907 0.4786 0.123 Uiso 1 1 calc R . .
C36 C 0.43471(18) 0.0640(5) 0.4235(4) 0.077(2) Uani 1 1 d DU . .
H36A H 0.4362 0.0022 0.4063 0.092 Uiso 1 1 calc R . .
C37 C 0.39442(16) 0.1038(4) 0.4054(3) 0.0508(15) Uani 1 1 d DU . .
C38 C 0.35469(15) 0.0405(4) 0.3600(3) 0.0410(13) Uani 1 1 d . . .
H38A H 0.3640 -0.0249 0.3688 0.049 Uiso 1 1 calc R . .
H38B H 0.3361 0.0499 0.3895 0.049 Uiso 1 1 calc R . .
N41 N 0.29007(12) 0.1012(3) 0.2287(3) 0.0327(10) Uani 1 1 d . . .
N42 N 0.32963(12) 0.0590(3) 0.2620(3) 0.0384(10) Uani 1 1 d . . .
C43 C 0.34047(17) 0.0404(4) 0.1948(4) 0.0491(15) Uani 1 1 d . . .
H43A H 0.3662 0.0127 0.2020 0.059 Uiso 1 1 calc R . .
C44 C 0.30744(17) 0.0689(4) 0.1140(4) 0.0409(13) Uani 1 1 d . . .
H44A H 0.3058 0.0647 0.0560 0.049 Uiso 1 1 calc R . .
C45 C 0.27643(15) 0.1061(3) 0.1385(3) 0.0317(11) Uani 1 1 d . . .
N51 N 0.21032(12) 0.1807(3) 0.1219(3) 0.0316(10) Uani 1 1 d . . .
C52 C 0.23414(15) 0.1488(3) 0.0814(3) 0.0312(12) Uani 1 1 d . . .
C53 C 0.21889(17) 0.1591(3) -0.0121(3) 0.0357(12) Uani 1 1 d . . .
H53A H 0.2353 0.1368 -0.0401 0.043 Uiso 1 1 calc R . .
C54 C 0.17987(16) 0.2019(4) -0.0633(4) 0.0394(13) Uani 1 1 d . . .
H54A H 0.1692 0.2080 -0.1261 0.047 Uiso 1 1 calc R . .
C55 C 0.15690(16) 0.2357(4) -0.0198(3) 0.0449(14) Uani 1 1 d . . .
H55A H 0.1306 0.2663 -0.0529 0.054 Uiso 1 1 calc R . .
C56 C 0.17287(15) 0.2243(4) 0.0724(3) 0.0375(13) Uani 1 1 d . . .
H56A H 0.1571 0.2476 0.1014 0.045 Uiso 1 1 calc R . .
Cl10 Cl 0.24138(4) 0.90010(9) 0.27504(8) 0.0332(3) Uani 1 1 d . . .
O11 O 0.21213(10) 0.9662(2) 0.2084(2) 0.0397(9) Uani 1 1 d . . .
O12 O 0.26741(10) 0.9484(2) 0.3592(2) 0.0399(8) Uani 1 1 d . . .
O13 O 0.26914(11) 0.8583(2) 0.2403(2) 0.0456(10) Uani 1 1 d . . .
O14 O 0.21695(12) 0.8269(2) 0.2917(2) 0.0436(9) Uani 1 1 d . . .
Cl20 Cl 0.09440(4) 0.28571(11) 0.18260(10) 0.0516(4) Uani 1 1 d . . .
O21 O 0.07356(15) 0.2038(4) 0.1879(4) 0.1070(19) Uani 1 1 d . . .
O22 O 0.14047(11) 0.2713(3) 0.2268(2) 0.0656(12) Uani 1 1 d . . .
O23 O 0.08359(18) 0.3594(3) 0.2273(4) 0.1001(17) Uani 1 1 d . . .
O24 O 0.08165(14) 0.3123(3) 0.0905(3) 0.0765(13) 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'
Cl Cl 0.1484 0.1585 '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'
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
N51 Hg1 N11 139.96(15) . . ?
N51 Hg1 N21 145.48(15) . . ?
N11 Hg1 N21 72.75(16) . . ?
N51 Hg1 N41 72.95(14) . . ?
N11 Hg1 N41 136.97(14) . . ?
N21 Hg1 N41 87.40(14) . . ?
C16 N11 C12 119.8(5) . . ?
C16 N11 Hg1 121.6(3) . . ?
C12 N11 Hg1 118.6(4) . . ?
N11 C12 C13 120.0(5) . . ?
N11 C12 C25 116.8(5) . . ?
C13 C12 C25 123.2(5) . . ?
C14 C13 C12 120.3(5) . . ?
C13 C14 C15 118.6(5) . . ?
C14 C15 C16 120.8(5) . . ?
N11 C16 C15 120.5(5) . . ?
C25 N21 N22 105.3(4) . . ?
C25 N21 Hg1 113.9(3) . . ?
N22 N21 Hg1 140.1(3) . . ?
C23 N22 N21 110.5(5) . . ?
C23 N22 C31 129.3(5) . . ?
N21 N22 C31 120.2(4) . . ?
N22 C23 C24 108.6(5) . . ?
C23 C24 C25 104.4(5) . . ?
N21 C25 C24 111.2(5) . . ?
N21 C25 C12 117.8(4) . . ?
C24 C25 C12 131.0(5) . . ?
N22 C31 C32 112.5(4) . . ?
C37 C32 C33 119.6(5) . . ?
C37 C32 C31 123.4(5) . . ?
C33 C32 C31 116.9(6) . . ?
C34 C33 C32 119.3(7) . . ?
C35 C34 C33 121.2(6) . . ?
C36 C35 C34 119.8(6) . . ?
C35 C36 C37 119.9(7) . . ?
C32 C37 C36 120.3(5) . . ?
C32 C37 C38 122.6(5) . . ?
C36 C37 C38 117.0(5) . . ?
N42 C38 C37 112.8(4) . . ?
C45 N41 N42 104.9(4) . . ?
C45 N41 Hg1 109.5(3) . . ?
N42 N41 Hg1 145.1(3) . . ?
C43 N42 N41 110.9(4) . . ?
C43 N42 C38 128.5(4) . . ?
N41 N42 C38 120.6(4) . . ?
N42 C43 C44 108.7(5) . . ?
C43 C44 C45 104.2(5) . . ?
N41 C45 C44 111.3(4) . . ?
N41 C45 C52 118.8(4) . . ?
C44 C45 C52 129.9(5) . . ?
C56 N51 C52 119.8(4) . . ?
C56 N51 Hg1 120.7(3) . . ?
C52 N51 Hg1 119.4(3) . . ?
N51 C52 C53 119.9(4) . . ?
N51 C52 C45 118.5(4) . . ?
C53 C52 C45 121.6(4) . . ?
C54 C53 C52 120.3(5) . . ?
C53 C54 C55 118.5(5) . . ?
C56 C55 C54 119.7(5) . . ?
N51 C56 C55 121.9(5) . . ?
O12 Cl10 O14 109.1(2) . . ?
O12 Cl10 O13 109.6(2) . . ?
O14 Cl10 O13 109.2(2) . . ?
O12 Cl10 O11 109.8(2) . . ?
O14 Cl10 O11 110.0(2) . . ?
O13 Cl10 O11 109.1(2) . . ?
O21 Cl20 O23 108.6(3) . . ?
O21 Cl20 O24 111.5(3) . . ?
O23 Cl20 O24 109.0(3) . . ?
O21 Cl20 O22 109.7(3) . . ?
O23 Cl20 O22 109.4(3) . . ?
O24 Cl20 O22 108.5(2) . . ?
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
Hg1 N51 2.157(4) . ?
Hg1 N11 2.196(4) . ?
Hg1 N21 2.342(4) . ?
Hg1 N41 2.458(4) . ?
N11 C16 1.347(6) . ?
N11 C12 1.356(6) . ?
C12 C13 1.397(7) . ?
C12 C25 1.462(7) . ?
C13 C14 1.358(7) . ?
C14 C15 1.371(7) . ?
C15 C16 1.378(7) . ?
N21 C25 1.330(6) . ?
N21 N22 1.350(6) . ?
N22 C23 1.342(6) . ?
N22 C31 1.471(6) . ?
C23 C24 1.355(8) . ?
C24 C25 1.392(7) . ?
C31 C32 1.497(7) . ?
C32 C37 1.385(8) . ?
C32 C33 1.402(8) . ?
C33 C34 1.386(9) . ?
C34 C35 1.382(10) . ?
C35 C36 1.377(8) . ?
C36 C37 1.403(7) . ?
C37 C38 1.525(7) . ?
C38 N42 1.469(6) . ?
N41 C45 1.339(6) . ?
N41 N42 1.361(5) . ?
N42 C43 1.341(6) . ?
C43 C44 1.365(7) . ?
C44 C45 1.405(6) . ?
C45 C52 1.465(7) . ?
N51 C56 1.330(6) . ?
N51 C52 1.346(6) . ?
C52 C53 1.389(7) . ?
C53 C54 1.368(7) . ?
C54 C55 1.370(7) . ?
C55 C56 1.368(6) . ?
Cl10 O12 1.439(3) . ?
Cl10 O14 1.440(3) . ?
Cl10 O13 1.445(3) . ?
Cl10 O11 1.450(3) . ?
Cl20 O21 1.390(4) . ?
Cl20 O23 1.419(5) . ?
Cl20 O24 1.423(4) . ?
Cl20 O22 1.436(4) . ?
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
N51 Hg1 N11 C16 12.0(5) . . . . ?
N21 Hg1 N11 C16 178.3(4) . . . . ?
N41 Hg1 N11 C16 -115.4(4) . . . . ?
N51 Hg1 N11 C12 -168.6(3) . . . . ?
N21 Hg1 N11 C12 -2.3(3) . . . . ?
N41 Hg1 N11 C12 64.0(4) . . . . ?
C16 N11 C12 C13 1.3(7) . . . . ?
Hg1 N11 C12 C13 -178.1(3) . . . . ?
C16 N11 C12 C25 179.9(4) . . . . ?
Hg1 N11 C12 C25 0.5(6) . . . . ?
N11 C12 C13 C14 -1.2(7) . . . . ?
C25 C12 C13 C14 -179.7(5) . . . . ?
C12 C13 C14 C15 1.4(8) . . . . ?
C13 C14 C15 C16 -1.6(8) . . . . ?
C12 N11 C16 C15 -1.6(7) . . . . ?
Hg1 N11 C16 C15 177.8(4) . . . . ?
C14 C15 C16 N11 1.8(8) . . . . ?
N51 Hg1 N21 C25 168.4(3) . . . . ?
N11 Hg1 N21 C25 3.9(3) . . . . ?
N41 Hg1 N21 C25 -137.4(3) . . . . ?
N51 Hg1 N21 N22 -23.2(6) . . . . ?
N11 Hg1 N21 N22 172.4(5) . . . . ?
N41 Hg1 N21 N22 31.1(5) . . . . ?
C25 N21 N22 C23 -0.8(5) . . . . ?
Hg1 N21 N22 C23 -169.9(4) . . . . ?
C25 N21 N22 C31 -179.3(4) . . . . ?
Hg1 N21 N22 C31 11.6(7) . . . . ?
N21 N22 C23 C24 0.4(6) . . . . ?
C31 N22 C23 C24 178.7(5) . . . . ?
N22 C23 C24 C25 0.2(6) . . . . ?
N22 N21 C25 C24 0.9(5) . . . . ?
Hg1 N21 C25 C24 173.2(3) . . . . ?
N22 N21 C25 C12 -177.4(4) . . . . ?
Hg1 N21 C25 C12 -5.1(5) . . . . ?
C23 C24 C25 N21 -0.7(6) . . . . ?
C23 C24 C25 C12 177.4(5) . . . . ?
N11 C12 C25 N21 3.3(7) . . . . ?
C13 C12 C25 N21 -178.2(4) . . . . ?
N11 C12 C25 C24 -174.7(5) . . . . ?
C13 C12 C25 C24 3.9(8) . . . . ?
C23 N22 C31 C32 53.4(7) . . . . ?
N21 N22 C31 C32 -128.4(5) . . . . ?
N22 C31 C32 C37 71.1(6) . . . . ?
N22 C31 C32 C33 -113.4(4) . . . . ?
C37 C32 C33 C34 0.4(2) . . . . ?
C31 C32 C33 C34 -175.3(5) . . . . ?
C32 C33 C34 C35 0.4(3) . . . . ?
C33 C34 C35 C36 -0.9(6) . . . . ?
C34 C35 C36 C37 0.5(7) . . . . ?
C33 C32 C37 C36 -0.8(5) . . . . ?
C31 C32 C37 C36 174.7(5) . . . . ?
C33 C32 C37 C38 177.5(5) . . . . ?
C31 C32 C37 C38 -7.1(7) . . . . ?
C35 C36 C37 C32 0.3(7) . . . . ?
C35 C36 C37 C38 -178.0(5) . . . . ?
C32 C37 C38 N42 79.9(6) . . . . ?
C36 C37 C38 N42 -101.8(5) . . . . ?
N51 Hg1 N41 C45 -7.2(3) . . . . ?
N11 Hg1 N41 C45 140.5(3) . . . . ?
N21 Hg1 N41 C45 -158.4(3) . . . . ?
N51 Hg1 N41 N42 -176.4(6) . . . . ?
N11 Hg1 N41 N42 -28.7(6) . . . . ?
N21 Hg1 N41 N42 32.4(5) . . . . ?
C45 N41 N42 C43 1.4(5) . . . . ?
Hg1 N41 N42 C43 170.8(4) . . . . ?
C45 N41 N42 C38 -179.3(4) . . . . ?
Hg1 N41 N42 C38 -9.9(8) . . . . ?
C37 C38 N42 C43 70.0(7) . . . . ?
C37 C38 N42 N41 -109.1(5) . . . . ?
N41 N42 C43 C44 -1.1(6) . . . . ?
C38 N42 C43 C44 179.7(4) . . . . ?
N42 C43 C44 C45 0.3(6) . . . . ?
N42 N41 C45 C44 -1.2(5) . . . . ?
Hg1 N41 C45 C44 -174.8(3) . . . . ?
N42 N41 C45 C52 -179.9(4) . . . . ?
Hg1 N41 C45 C52 6.5(5) . . . . ?
C43 C44 C45 N41 0.6(6) . . . . ?
C43 C44 C45 C52 179.1(5) . . . . ?
N11 Hg1 N51 C56 38.6(5) . . . . ?
N21 Hg1 N51 C56 -117.9(4) . . . . ?
N41 Hg1 N51 C56 -175.9(4) . . . . ?
N11 Hg1 N51 C52 -138.0(3) . . . . ?
N21 Hg1 N51 C52 65.5(4) . . . . ?
N41 Hg1 N51 C52 7.4(3) . . . . ?
C56 N51 C52 C53 -1.9(7) . . . . ?
Hg1 N51 C52 C53 174.8(3) . . . . ?
C56 N51 C52 C45 176.4(4) . . . . ?
Hg1 N51 C52 C45 -6.9(5) . . . . ?
N41 C45 C52 N51 -0.7(7) . . . . ?
C44 C45 C52 N51 -179.1(5) . . . . ?
N41 C45 C52 C53 177.6(4) . . . . ?
C44 C45 C52 C53 -0.9(8) . . . . ?
N51 C52 C53 C54 0.3(7) . . . . ?
C45 C52 C53 C54 -177.9(4) . . . . ?
C52 C53 C54 C55 1.3(7) . . . . ?
C53 C54 C55 C56 -1.4(8) . . . . ?
C52 N51 C56 C55 1.8(7) . . . . ?
Hg1 N51 C56 C55 -174.8(4) . . . . ?
C54 C55 C56 N51 -0.2(8) . . . . ?
