#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/17/4311792.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_4311792
loop_
_publ_author_name
'Neil D. Draper'
'Raymond J. Batchelor'
'Pedro M. Aguiar'
'Scott Kroeker'
'Daniel B. Leznoff'
_publ_contact_author_address
; 
Chemistry Department
Simon Fraser University
8888 University Drive
Burnaby, BC
Canada, V5A 1S6
;
_publ_contact_author_email       dleznoff@sfu.ca
_publ_contact_author_fax         604-291-3765
_publ_contact_author_name        'D. B. Leznoff'
_publ_contact_author_phone       604-291-4887
_publ_section_title
;
 Factors Affecting the Solid-State Structure and Dimensionality of Mercury
 Cyanide/Chloride Double Salts, and NMR Characterization of Coordination
 Geometries
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              6557
_journal_page_last               6567
_journal_paper_doi               10.1021/ic049792e
_journal_volume                  43
_journal_year                    2004
_chemical_compound_source
;
?
;
_chemical_formula_moiety         ' C34 H22 Cl2 Hg2 N10 Ni1 '
_chemical_formula_sum            'C34 H22 Cl2 Hg2 N10 Ni'
_chemical_formula_weight         1101.39
_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
_cell_angle_alpha                92.488(19)
_cell_angle_beta                 91.35(2)
_cell_angle_gamma                110.442(19)
_cell_formula_units_Z            2
_cell_length_a                   8.840(2)
_cell_length_b                   12.509(3)
_cell_length_c                   17.779(4)
_cell_measurement_reflns_used    24
_cell_measurement_temperature    293
_cell_measurement_theta_max      17
_cell_measurement_theta_min      15
_cell_volume                     1838.9(8)
_diffrn_ambient_temperature      293
_diffrn_measured_fraction_theta_full 1.000
_diffrn_measured_fraction_theta_max 1.000
_diffrn_measurement_device_type
; 
Enraf-Nonius CAD4 
;
_diffrn_measurement_method       ω/2θ
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.70930
_diffrn_reflns_av_R_equivalents  0.00
_diffrn_reflns_limit_h_max       8
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            5073
_diffrn_reflns_theta_full        22.499
_diffrn_reflns_theta_max         22.499
_diffrn_reflns_theta_min         2.027
_diffrn_standards_decay_%        0.77
_diffrn_standards_interval_count 55
_diffrn_standards_interval_time  75
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    9.022
_exptl_absorpt_correction_T_max  NaN
_exptl_absorpt_correction_T_min  NaN
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
; 
 Azimutal absorption correction (North et al, 1968) 
;
_exptl_crystal_colour            ' brown '
_exptl_crystal_density_diffrn    1.989
_exptl_crystal_description       ' platelet '
_exptl_crystal_F_000             1036
_exptl_crystal_size_max          0.34
_exptl_crystal_size_mid          0.11
_exptl_crystal_size_min          0.03
_refine_diff_density_max         5.38
_refine_diff_density_min         -6.67
_refine_ls_extinction_method     None
_refine_ls_goodness_of_fit_ref   1.2692
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     293
_refine_ls_number_reflns         2725
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.0985
_refine_ls_R_factor_gt           0.0341
_refine_ls_shift/su_max          0.001074
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
 p=P(6)*max(Fo²,0) + (1-P(6))Fc² 
 Method = SHELXL 97 (Sheldrick, 1997) 
 W = 1. / [Sigma²(F*)+(P(1)p)²+P(2)p+P(4)+P(5)Sin(theta) ] 
 P(i) are: 
 0.150E-01 0.00 0.00 0.00 0.00 1.00 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0394
_refine_ls_wR_factor_gt          0.0345
_refine_ls_wR_factor_ref         0.0345
_reflns_limit_h_max              9
_reflns_limit_h_min              -9
_reflns_limit_k_max              13
_reflns_limit_k_min              -13
_reflns_limit_l_max              19
_reflns_limit_l_min              0
_reflns_number_gt                2725
_reflns_number_total             4850
_reflns_threshold_expression     I>2.50u(I)
_cod_data_source_file            ic049792esi20040216_065452_4.cif
_cod_data_source_block           '[Ni(terpy)2][Hg(CN)2Cl]2'
_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_original_formula_sum        ' C34 H22 Cl2 Hg2 N10 Ni1 '
_cod_database_code               4311792
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_occupancy
_atom_site_adp_type
_atom_site_refinement_flags_posn
_atom_site_refinement_flags_adp
_atom_site_refinement_flags_occupancy
_atom_site_refinement_disorder_assembly
_atom_site_refinement_disorder_group
_atom_site_attached_hydrogens
Hg1 Hg 0.32402(7) 0.55525(4) 0.54698(3) 0.0677 1.0000 Uani . . . . . .
Hg2 Hg 0.22805(7) 1.55898(4) 0.96828(3) 0.0620 1.0000 Uani . . . . . .
Ni1 Ni 0.04958(17) 1.09514(11) 0.75375(7) 0.0368 1.0000 Uani . . . . . .
Cl1 Cl 0.4593(5) 0.5511(3) 0.40958(18) 0.0700 1.0000 Uani . . . . . .
Cl2 Cl -0.0515(4) 1.4020(3) 0.9100(2) 0.0818 1.0000 Uani . . . . . .
N1 N 0.2808(11) 1.1221(7) 0.8007(4) 0.0421 1.0000 Uani . . . . . .
N2 N 0.1427(11) 1.2664(7) 0.7638(4) 0.0408 1.0000 Uani . . . . . .
N3 N -0.1426(11) 1.1411(7) 0.7140(4) 0.0391 1.0000 Uani . . . . . .
N4 N 0.1214(11) 1.0722(8) 0.6434(4) 0.0421 1.0000 Uani . . . . . .
N5 N -0.0379(10) 0.9259(8) 0.7368(5) 0.0418 1.0000 Uani . . . . . .
N6 N -0.0609(11) 1.0436(8) 0.8561(4) 0.0420 1.0000 Uani . . . . . .
N11 N 0.0042(18) 0.3375(12) 0.5227(7) 0.0958 1.0000 Uani . . . . . .
N12 N 0.503(2) 0.8036(13) 0.6227(8) 0.1366 1.0000 Uani . . . . . .
N21 N 0.3553(18) 1.3957(14) 1.0639(10) 0.1286 1.0000 Uani . . . . . .
N22 N 0.251(2) 1.7730(13) 0.8720(9) 0.1362 1.0000 Uani . . . . . .
C11 C 0.1192(19) 0.4130(12) 0.5304(7) 0.0615 1.0000 Uani . . . . . .
C12 C 0.443(2) 0.7165(14) 0.5956(8) 0.0867 1.0000 Uani . . . . . .
C21 C 0.3063(18) 1.4503(13) 1.0273(9) 0.0819 1.0000 Uani . . . . . .
C22 C 0.243(2) 1.6972(13) 0.9062(8) 0.0810 1.0000 Uani . . . . . .
C1 C 0.3397(14) 1.0409(10) 0.8203(6) 0.046(3) 1.0000 Uiso . . . . . .
C2 C 0.4927(15) 1.0697(11) 0.8535(6) 0.058(4) 1.0000 Uiso . . . . . .
C3 C 0.5824(18) 1.1797(12) 0.8669(7) 0.073(4) 1.0000 Uiso . . . . . .
C4 C 0.5274(16) 1.2659(11) 0.8472(6) 0.059(4) 1.0000 Uiso . . . . . .
C5 C 0.3732(15) 1.2332(10) 0.8133(6) 0.046(3) 1.0000 Uiso . . . . . .
C6 C 0.2997(14) 1.3147(10) 0.7893(6) 0.042(3) 1.0000 Uiso . . . . . .
C7 C 0.3700(16) 1.4349(11) 0.7892(6) 0.058(3) 1.0000 Uiso . . . . . .
C8 C 0.2830(15) 1.4950(11) 0.7619(6) 0.055(3) 1.0000 Uiso . . . . . .
C9 C 0.1286(15) 1.4446(10) 0.7355(6) 0.056(3) 1.0000 Uiso . . . . . .
C10 C 0.0556(14) 1.3244(10) 0.7365(6) 0.043(3) 1.0000 Uiso . . . . . .
C13 C -0.1072(14) 1.2551(10) 0.7093(6) 0.045(3) 1.0000 Uiso . . . . . .
C14 C -0.2200(16) 1.2985(11) 0.6811(6) 0.061(4) 1.0000 Uiso . . . . . .
C15 C -0.3690(17) 1.2206(12) 0.6564(7) 0.070(4) 1.0000 Uiso . . . . . .
C16 C -0.4039(16) 1.1070(11) 0.6599(6) 0.061(4) 1.0000 Uiso . . . . . .
C17 C -0.2874(14) 1.0704(10) 0.6903(6) 0.046(3) 1.0000 Uiso . . . . . .
C18 C 0.2055(15) 1.1556(11) 0.6000(6) 0.053(3) 1.0000 Uiso . . . . . .
C19 C 0.2589(16) 1.1333(12) 0.5309(7) 0.068(4) 1.0000 Uiso . . . . . .
C20 C 0.2289(17) 1.0220(12) 0.5089(8) 0.073(4) 1.0000 Uiso . . . . . .
C23 C 0.1436(16) 0.9340(12) 0.5517(7) 0.065(4) 1.0000 Uiso . . . . . .
C24 C 0.0872(13) 0.9636(10) 0.6207(6) 0.042(3) 1.0000 Uiso . . . . . .
C25 C -0.0102(14) 0.8807(10) 0.6719(6) 0.048(3) 1.0000 Uiso . . . . . .
C26 C -0.0773(17) 0.7633(13) 0.6560(8) 0.080(4) 1.0000 Uiso . . . . . .
C27 C -0.168(2) 0.6965(15) 0.7088(9) 0.102(5) 1.0000 Uiso . . . . . .
C28 C -0.1955(17) 0.7460(12) 0.7764(8) 0.074(4) 1.0000 Uiso . . . . . .
C29 C -0.1274(15) 0.8637(10) 0.7890(6) 0.051(3) 1.0000 Uiso . . . . . .
C30 C -0.1433(15) 0.9291(10) 0.8570(6) 0.049(3) 1.0000 Uiso . . . . . .
C31 C -0.2345(17) 0.8819(13) 0.9167(8) 0.076(4) 1.0000 Uiso . . . . . .
C32 C -0.2359(18) 0.9529(13) 0.9785(8) 0.077(4) 1.0000 Uiso . . . . . .
C33 C -0.1533(16) 1.0643(12) 0.9797(7) 0.068(4) 1.0000 Uiso . . . . . .
C34 C -0.0645(14) 1.1096(11) 0.9161(6) 0.053(3) 1.0000 Uiso . . . . . .
H1 H 0.2755(14) 0.9625(10) 0.8113(6) 0.085(10) 1.0000 Uiso . . . . . .
H2 H 0.5347(15) 1.0122(11) 0.8661(6) 0.105(10) 1.0000 Uiso . . . . . .
H3 H 0.6857(18) 1.1991(12) 0.8916(7) 0.113(10) 1.0000 Uiso . . . . . .
H4 H 0.5919(16) 1.3444(11) 0.8552(6) 0.101(10) 1.0000 Uiso . . . . . .
H7 H 0.4780(16) 1.4722(11) 0.8082(6) 0.095(10) 1.0000 Uiso . . . . . .
H8 H 0.3328(15) 1.5757(11) 0.7610(6) 0.093(10) 1.0000 Uiso . . . . . .
H9 H 0.0688(15) 1.4888(10) 0.7172(6) 0.096(10) 1.0000 Uiso . . . . . .
H14 H -0.1945(16) 1.3785(11) 0.6780(6) 0.106(10) 1.0000 Uiso . . . . . .
H15 H -0.4490(17) 1.2476(12) 0.6367(7) 0.111(10) 1.0000 Uiso . . . . . .
H16 H -0.5059(16) 1.0540(11) 0.6423(6) 0.100(10) 1.0000 Uiso . . . . . .
H17 H -0.3107(14) 0.9908(10) 0.6944(6) 0.083(10) 1.0000 Uiso . . . . . .
H18 H 0.2298(15) 1.2328(11) 0.6177(6) 0.091(10) 1.0000 Uiso . . . . . .
H19 H 0.3134(16) 1.1934(12) 0.4996(7) 0.114(10) 1.0000 Uiso . . . . . .
H20 H 0.2687(17) 1.0045(12) 0.4625(8) 0.118(10) 1.0000 Uiso . . . . . .
H23 H 0.1231(16) 0.8563(12) 0.5365(7) 0.106(10) 1.0000 Uiso . . . . . .
H26 H -0.0594(17) 0.7303(13) 0.6095(8) 0.128(10) 1.0000 Uiso . . . . . .
H27 H -0.214(2) 0.6161(15) 0.6994(9) 0.138(10) 1.0000 Uiso . . . . . .
H28 H -0.2579(17) 0.7002(12) 0.8138(8) 0.116(10) 1.0000 Uiso . . . . . .
H31 H -0.2961(17) 0.8025(13) 0.9149(8) 0.118(10) 1.0000 Uiso . . . . . .
H32 H -0.2969(18) 0.9212(13) 1.0206(8) 0.121(10) 1.0000 Uiso . . . . . .
H33 H -0.1515(16) 1.1125(12) 1.0228(7) 0.116(10) 1.0000 Uiso . . . . . .
H34 H -0.0089(14) 1.1897(11) 0.9156(6) 0.096(10) 1.0000 Uiso . . . . . .
loop_
_atom_type_symbol
_atom_type_scat_dispersion_real
_atom_type_scat_dispersion_imag
_atom_type_scat_Cromer_Mann_a1
_atom_type_scat_Cromer_Mann_b1
_atom_type_scat_Cromer_Mann_a2
_atom_type_scat_Cromer_Mann_b2
_atom_type_scat_Cromer_Mann_a3
_atom_type_scat_Cromer_Mann_b3
_atom_type_scat_Cromer_Mann_a4
_atom_type_scat_Cromer_Mann_b4
_atom_type_scat_Cromer_Mann_c
_atom_type_scat_source
'Hg  ' -3.0840 9.2230 20.6809 0.5450 19.0417 8.4484 21.6575 1.5729 5.9676
38.3246 12.6089 International_Tables_Vol_IV_Table_2.2B
'Ni  ' 0.2850 1.1130 12.8376 3.8785 7.2920 0.2565 4.4438 12.1763 2.3800 66.3422
1.0341 International_Tables_Vol_IV_Table_2.2B
'Cl  ' 0.1320 0.1590 11.4604 0.0104 7.1964 1.1662 6.2556 18.5194 1.6455 47.7784
-9.5574 International_Tables_Vol_IV_Table_2.2B
'N   ' 0.0040 0.0030 12.2126 0.0057 3.1322 9.8933 2.0125 28.9975 1.1663 0.5826
-11.5290 International_Tables_Vol_IV_Table_2.2B
'C   ' 0.0020 0.0020 2.3100 20.8439 1.0200 10.2075 1.5886 0.5687 0.8650 51.6512
0.2156 International_Tables_Vol_IV_Table_2.2B
'H   ' 0.0000 0.0000 0.4930 10.5109 0.3229 26.1257 0.1402 3.1424 0.0408 57.7998
0.0030 International_Tables_Vol_IV_Table_2.2B
loop_
_geom_angle_atom_site_label_1
_geom_angle_site_symmetry_1
_geom_angle_atom_site_label_2
_geom_angle_site_symmetry_2
_geom_angle_atom_site_label_3
_geom_angle_site_symmetry_3
_geom_angle
_geom_angle_publ_flag
C12 . Hg1 . C11 . 150.5(6) yes
C12 . Hg1 . Cl1 . 105.7(4) yes
C11 . Hg1 . Cl1 . 99.5(4) yes
C12 . Hg1 . Cl1 2_666 99.4(5) yes
C11 . Hg1 . Cl1 2_666 98.9(4) yes
Cl1 . Hg1 . Cl1 2_666 82.44(10) yes
C22 . Hg2 . C21 . 158.1(6) yes
C22 . Hg2 . Cl2 . 101.0(5) yes
C21 . Hg2 . Cl2 . 97.5(4) yes
C22 . Hg2 . Cl2 2_587 100.1(4) yes
C21 . Hg2 . Cl2 2_587 92.2(5) yes
Cl2 . Hg2 . Cl2 2_587 87.73(10) yes
N6 . Ni1 . N5 . 78.2(3) yes
N6 . Ni1 . N4 . 156.0(3) yes
N5 . Ni1 . N4 . 77.8(3) yes
N6 . Ni1 . N3 . 92.5(3) yes
N5 . Ni1 . N3 . 102.1(3) yes
N4 . Ni1 . N3 . 92.4(3) yes
N6 . Ni1 . N2 . 105.6(3) yes
N5 . Ni1 . N2 . 176.2(3) yes
N4 . Ni1 . N2 . 98.3(3) yes
N3 . Ni1 . N2 . 77.7(4) yes
N6 . Ni1 . N1 . 92.5(3) yes
N5 . Ni1 . N1 . 101.5(3) yes
N4 . Ni1 . N1 . 92.4(3) yes
N3 . Ni1 . N1 . 156.4(3) yes
N2 . Ni1 . N1 . 78.7(4) yes
Hg1 2_666 Cl1 . Hg1 . 97.56(10) yes
Hg2 2_587 Cl2 . Hg2 . 92.27(10) yes
C5 . N1 . C1 . 119.4(10) yes
C5 . N1 . Ni1 . 114.1(7) yes
C1 . N1 . Ni1 . 126.5(8) yes
C10 . N2 . C6 . 124.2(9) yes
C10 . N2 . Ni1 . 118.1(7) yes
C6 . N2 . Ni1 . 117.1(7) yes
C17 . N3 . C13 . 119.0(10) yes
C17 . N3 . Ni1 . 126.4(8) yes
C13 . N3 . Ni1 . 114.5(7) yes
C24 . N4 . C18 . 120.2(9) yes
C24 . N4 . Ni1 . 113.8(7) yes
C18 . N4 . Ni1 . 125.8(8) yes
C29 . N5 . C25 . 122.9(10) yes
C29 . N5 . Ni1 . 118.8(7) yes
C25 . N5 . Ni1 . 118.3(7) yes
C34 . N6 . C30 . 118.5(10) yes
C34 . N6 . Ni1 . 127.6(8) yes
C30 . N6 . Ni1 . 113.8(7) yes
N11 . C11 . Hg1 . 177.4(14) yes
N12 . C12 . Hg1 . 177.9(17) yes
N21 . C21 . Hg2 . 175.2(17) yes
N22 . C22 . Hg2 . 179.8(14) yes
H1 . C1 . C2 . 119.2(8) no
H1 . C1 . N1 . 119.7(6) no
C2 . C1 . N1 . 121.0(11) yes
H2 . C2 . C3 . 120.0(9) no
H2 . C2 . C1 . 120.7(7) no
C3 . C2 . C1 . 119.3(13) yes
H3 . C3 . C4 . 119.3(8) no
H3 . C3 . C2 . 119.0(9) no
C4 . C3 . C2 . 121.7(14) yes
H4 . C4 . C5 . 120.7(7) no
H4 . C4 . C3 . 122.1(8) no
C5 . C4 . C3 . 117.2(12) yes
C6 . C5 . N1 . 115.3(10) yes
C6 . C5 . C4 . 123.2(11) yes
N1 . C5 . C4 . 121.4(11) yes
C7 . C6 . N2 . 117.0(10) yes
C7 . C6 . C5 . 128.5(11) yes
N2 . C6 . C5 . 114.5(10) yes
H7 . C7 . C8 . 120.9(8) no
H7 . C7 . C6 . 119.7(7) no
C8 . C7 . C6 . 119.4(12) yes
H8 . C8 . C9 . 119.3(8) no
H8 . C8 . C7 . 118.5(8) no
C9 . C8 . C7 . 122.3(13) yes
H9 . C9 . C10 . 120.2(7) no
H9 . C9 . C8 . 120.8(8) no
C10 . C9 . C8 . 119.0(12) yes
C13 . C10 . N2 . 115.0(10) yes
C13 . C10 . C9 . 126.9(11) yes
N2 . C10 . C9 . 118.1(11) yes
C14 . C13 . N3 . 121.3(11) yes
C14 . C13 . C10 . 124.5(11) yes
N3 . C13 . C10 . 114.2(10) yes
H14 . C14 . C15 . 121.8(8) no
H14 . C14 . C13 . 120.9(7) no
C15 . C14 . C13 . 117.3(12) yes
H15 . C15 . C16 . 119.0(8) no
H15 . C15 . C14 . 119.4(8) no
C16 . C15 . C14 . 121.6(13) yes
H16 . C16 . C17 . 120.9(8) no
H16 . C16 . C15 . 121.2(8) no
C17 . C16 . C15 . 117.8(13) yes
H17 . C17 . N3 . 118.0(6) no
H17 . C17 . C16 . 119.1(8) no
N3 . C17 . C16 . 122.9(11) yes
H18 . C18 . C19 . 118.9(8) no
H18 . C18 . N4 . 118.8(6) no
C19 . C18 . N4 . 122.3(12) yes
H19 . C19 . C20 . 121.3(8) no
H19 . C19 . C18 . 121.3(8) no
C20 . C19 . C18 . 117.4(13) yes
H20 . C20 . C23 . 118.8(8) no
H20 . C20 . C19 . 119.1(8) no
C23 . C20 . C19 . 122.1(13) yes
H23 . C23 . C24 . 120.7(7) no
H23 . C23 . C20 . 122.2(8) no
C24 . C23 . C20 . 117.1(12) yes
C25 . C24 . N4 . 114.9(10) yes
C25 . C24 . C23 . 124.3(11) yes
N4 . C24 . C23 . 120.8(11) yes
C26 . C25 . N5 . 120.0(11) yes
C26 . C25 . C24 . 125.2(11) yes
N5 . C25 . C24 . 114.8(10) yes
H26 . C26 . C27 . 120.7(10) no
H26 . C26 . C25 . 120.6(8) no
C27 . C26 . C25 . 118.7(14) yes
H27 . C27 . C28 . 119.8(10) no
H27 . C27 . C26 . 120.0(10) no
C28 . C27 . C26 . 120.2(16) yes
H28 . C28 . C29 . 120.4(8) no
H28 . C28 . C27 . 120.9(10) no
C29 . C28 . C27 . 118.7(14) yes
C30 . C29 . N5 . 114.9(11) yes
C30 . C29 . C28 . 125.6(12) yes
N5 . C29 . C28 . 119.5(11) yes
C31 . C30 . N6 . 121.7(11) yes
C31 . C30 . C29 . 124.3(12) yes
N6 . C30 . C29 . 114.1(10) yes
H31 . C31 . C32 . 121.3(9) no
H31 . C31 . C30 . 120.2(8) no
C32 . C31 . C30 . 118.5(14) yes
H32 . C32 . C33 . 119.7(9) no
H32 . C32 . C31 . 119.4(9) no
C33 . C32 . C31 . 120.9(14) yes
H33 . C33 . C34 . 120.5(8) no
H33 . C33 . C32 . 120.8(9) no
C34 . C33 . C32 . 118.6(13) yes
H34 . C34 . N6 . 119.1(7) no
H34 . C34 . C33 . 119.1(8) no
N6 . C34 . C33 . 121.8(12) yes
loop_
_geom_bond_atom_site_label_1
_geom_bond_site_symmetry_1
_geom_bond_atom_site_label_2
_geom_bond_site_symmetry_2
_geom_bond_distance
_geom_bond_publ_flag
Hg1 . C12 . 2.060(17) yes
Hg1 . C11 . 2.052(15) yes
Hg1 . Cl1 . 2.751(3) yes
Hg1 . Cl1 2_666 2.799(4) yes
Hg2 . C22 . 2.060(16) yes
Hg2 . C21 . 2.044(17) yes
Hg2 . Cl2 . 2.711(4) yes
Hg2 . Cl2 2_587 2.820(3) yes
Ni1 . N6 . 2.104(9) yes
Ni1 . N5 . 1.990(9) yes
Ni1 . N4 . 2.115(8) yes
Ni1 . N3 . 2.092(9) yes
Ni1 . N2 . 2.006(8) yes
Ni1 . N1 . 2.098(9) yes
N1 . C5 . 1.349(13) yes
N1 . C1 . 1.347(13) yes
N2 . C10 . 1.327(13) yes
N2 . C6 . 1.363(13) yes
N3 . C17 . 1.323(13) yes
N3 . C13 . 1.355(13) yes
N4 . C24 . 1.326(13) yes
N4 . C18 . 1.338(14) yes
N5 . C29 . 1.327(13) yes
N5 . C25 . 1.328(13) yes
N6 . C34 . 1.328(13) yes
N6 . C30 . 1.363(14) yes
N11 . C11 . 1.121(16) yes
N12 . C12 . 1.114(17) yes
N21 . C21 . 1.143(16) yes
N22 . C22 . 1.130(16) yes
C1 . H1 . 0.9500(3) no
C1 . C2 . 1.383(15) yes
C2 . H2 . 0.9500(2) no
C2 . C3 . 1.333(16) yes
C3 . H3 . 0.9500(2) no
C3 . C4 . 1.384(16) yes
C4 . H4 . 0.9500(3) no
C4 . C5 . 1.392(15) yes
C5 . C6 . 1.460(15) yes
C6 . C7 . 1.413(15) yes
C7 . H7 . 0.9500(3) no
C7 . C8 . 1.346(15) yes
C8 . H8 . 0.9500(3) no
C8 . C9 . 1.351(15) yes
C9 . H9 . 0.95000(19) no
C9 . C10 . 1.414(15) yes
C10 . C13 . 1.455(15) yes
C13 . C14 . 1.386(15) yes
C14 . H14 . 0.9500(2) no
C14 . C15 . 1.384(16) yes
C15 . H15 . 0.9500(2) no
C15 . C16 . 1.349(16) yes
C16 . H16 . 0.9500(3) no
C16 . C17 . 1.374(15) yes
C17 . H17 . 0.9500(2) no
C18 . H18 . 0.9500(2) no
C18 . C19 . 1.378(15) yes
C19 . H19 . 0.9500(3) no
C19 . C20 . 1.361(17) yes
C20 . H20 . 0.9500(2) no
C20 . C23 . 1.370(17) yes
C23 . H23 . 0.9500(2) no
C23 . C24 . 1.418(15) yes
C24 . C25 . 1.463(15) yes
C25 . C26 . 1.392(17) yes
C26 . H26 . 0.9500(2) no
C26 . C27 . 1.364(19) yes
C27 . H27 . 0.9500(3) no
C27 . C28 . 1.392(18) yes
C28 . H28 . 0.9500(3) no
C28 . C29 . 1.388(17) yes
C29 . C30 . 1.469(15) yes
C30 . C31 . 1.373(16) yes
C31 . H31 . 0.9500(3) no
C31 . C32 . 1.386(17) yes
C32 . H32 . 0.9500(2) no
C32 . C33 . 1.327(17) yes
C33 . H33 . 0.9500(2) no
C33 . C34 . 1.416(16) yes
C34 . H34 . 0.9500(3) no
