#------------------------------------------------------------------------------
#$Date: 2016-02-16 22:30:59 +0200 (Tue, 16 Feb 2016) $
#$Revision: 176467 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/17/4311789.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_4311789
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         ' C10 H40 Cl6 Co2 Hg5 N22 O2 '
_chemical_formula_sum            'C10 H40 Cl6 Co2 Hg5 N22 O2'
_chemical_formula_weight         1834.10
_chemical_name_systematic
; 
? 
;
_space_group_IT_number           12
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-I 2y'
_symmetry_space_group_name_H-M   'I 1 2/m 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_cell_angle_alpha                90
_cell_angle_beta                 97.088(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
_cell_length_a                   8.5648(9)
_cell_length_b                   12.8938(13)
_cell_length_c                   19.0120(15)
_cell_measurement_reflns_used    40
_cell_measurement_temperature    293
_cell_measurement_theta_max      18
_cell_measurement_theta_min      17
_cell_volume                     2083.5(3)
_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       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       0
_diffrn_reflns_limit_l_max       23
_diffrn_reflns_limit_l_min       0
_diffrn_reflns_number            2055
_diffrn_reflns_theta_full        25.497
_diffrn_reflns_theta_max         25.497
_diffrn_reflns_theta_min         2.155
_diffrn_standards_decay_%        5.11
_diffrn_standards_interval_count 14
_diffrn_standards_interval_time  150
_diffrn_standards_number         2
_exptl_absorpt_coefficient_mu    19.56
_exptl_absorpt_correction_T_max  0.0406
_exptl_absorpt_correction_T_min  0.0106
_exptl_absorpt_correction_type   psi-scan
_exptl_absorpt_process_details
; 
 Azimutal absorption correction (North et al, 1968) 
;
_exptl_crystal_colour            ' orange '
_exptl_crystal_density_diffrn    2.924
_exptl_crystal_description       ' platelet '
_exptl_crystal_F_000             1651
_exptl_crystal_size_max          0.31
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.05
_refine_diff_density_max         1.30
_refine_diff_density_min         -1.13
_refine_ls_extinction_coef       16.3(17)
_refine_ls_extinction_method
'Larson 1970 Crystallographic Computing eq 22'
_refine_ls_goodness_of_fit_ref   1.2122
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     126
_refine_ls_number_reflns         1348
_refine_ls_number_restraints     6
_refine_ls_R_factor_all          0.0632
_refine_ls_R_factor_gt           0.0318
_refine_ls_shift/su_max          0.001012
_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: 
 0.280E-01 0.00 0.00 0.00 0.00 1.00 
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_all         0.0465
_refine_ls_wR_factor_gt          0.0430
_refine_ls_wR_factor_ref         0.0430
_reflns_limit_h_max              10
_reflns_limit_h_min              -10
_reflns_limit_k_max              15
_reflns_limit_k_min              0
_reflns_limit_l_max              23
_reflns_limit_l_min              0
_reflns_number_gt                1348
_reflns_number_total             2049
_reflns_threshold_expression     I>2.50u(I)
_cod_data_source_file            ic049792esi20040216_065452_1.cif
_cod_data_source_block           '[Co(NH3)6]2[Hg(CN)2]5Cl6(H2O)2'
_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      'I 1 2/m 1 '
_cod_original_formula_sum        ' C10 H40 Cl6 Co2 Hg5 N22 O2 '
_cod_database_code               4311789
loop_
_symmetry_equiv_pos_as_xyz
x,y,z
-x,-y,-z
x+1/2,y+1/2,z+1/2
-x+1/2,-y+1/2,-z+1/2
-x,y,-z
x,-y,z
-x+1/2,y+1/2,-z+1/2
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_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 1.0000 -0.34570(4) 0.0000 0.0446 1.0000 Uani S T . . . .
Hg2 Hg 1.5000 0.0000 0.0000 0.0516 1.0000 Uani S T . . . .
Hg3 Hg 1.5000 -0.31467(5) 0.0000 0.0471 1.0000 Uani S T . . . .
Co1 Co 1.0628(2) 0.0000 0.18983(10) 0.0332 1.0000 Uani S T . . . .
Cl1 Cl 1.2283(3) -0.15820(18) -0.00522(16) 0.0473 1.0000 Uani . . . . . .
Cl2 Cl 0.7291(5) -0.5000 0.0094(2) 0.0519 1.0000 Uani S T . . . .
O1 O 0.7473(15) 0.000000(7) 0.3146(7) 0.0723 1.0000 Uani S T . . . .
N1 N 1.0852(13) -0.3447(8) 0.1666(7) 0.0626 1.0000 Uani . . . . . .
N2 N 1.4492(18) 0.0000 -0.1669(10) 0.0661 1.0000 Uani S T . . . .
N3 N 1.5076(15) -0.2838(9) 0.1647(6) 0.0749 1.0000 Uani . . . . . .
N4 N 1.2235(10) -0.1092(6) 0.1864(5) 0.0467 1.0000 Uani . . . . . .
N5 N 0.8978(10) 0.1099(7) 0.1925(5) 0.0469 1.0000 Uani . . . . . .
N6 N 1.0266(15) 0.000000(7) 0.0890(6) 0.0427 1.0000 Uani S T . . . .
N7 N 1.0991(15) 0.000000(7) 0.2942(6) 0.0413 1.0000 Uani S T . . . .
C1 C 1.0522(14) -0.3457(8) 0.1068(6) 0.0455 1.0000 Uani . . . . . .
C2 C 1.468(2) 0.0000 -0.1076(9) 0.0473 1.0000 Uani S T . . . .
C3 C 1.5079(14) -0.2987(8) 0.1067(6) 0.0465 1.0000 Uani . . . . . .
H1 H 0.6349(15) 0.000000(7) 0.2872(7) 0.04(3) 1.0000 Uiso . . . . . .
H2 H 0.7362(15) 0.094090(7) 0.3241(7) 0.04(3) 0.5000 Uiso . . . . . .
H41 H 1.2319(10) -0.1258(6) 0.1394(5) 0.28(4) 0.5000 Uiso . . . . . .
H42 H 1.3200(10) -0.0853(6) 0.2081(5) 0.28(4) 0.5000 Uiso . . . . . .
H43 H 1.1942(10) -0.1679(6) 0.2100(5) 0.28(4) 0.5000 Uiso . . . . . .
H44 H 1.2658(10) -0.1266(6) 0.2323(5) 0.28(4) 0.5000 Uiso . . . . . .
H45 H 1.3030(10) -0.0849(6) 0.1615(5) 0.28(4) 0.5000 Uiso . . . . . .
H46 H 1.1773(10) -0.1675(6) 0.1637(5) 0.28(4) 0.5000 Uiso . . . . . .
H51 H 0.8561(10) 0.1270(7) 0.1465(5) 0.28(4) 0.5000 Uiso . . . . . .
H52 H 0.9427(10) 0.1686(7) 0.2152(5) 0.28(4) 0.5000 Uiso . . . . . .
H53 H 0.8181(10) 0.0852(7) 0.2171(5) 0.28(4) 0.5000 Uiso . . . . . .
H54 H 0.8888(10) 0.1270(7) 0.2394(5) 0.28(4) 0.5000 Uiso . . . . . .
H55 H 0.9263(10) 0.1686(7) 0.1686(5) 0.28(4) 0.5000 Uiso . . . . . .
H56 H 0.8018(10) 0.0852(7) 0.1708(5) 0.28(4) 0.5000 Uiso . . . . . .
H61 H 0.9214(15) 0.000000(7) 0.0731(6) 0.28(4) 1.0000 Uiso . . . . . .
H62 H 1.0744(15) -0.058894(7) 0.0712(6) 0.28(4) 1.0000 Uiso . . . . . .
H63 H 1.0744(15) 0.058894(7) 0.0712(6) 0.28(4) 1.0000 Uiso . . . . . .
H71 H 1.0055(15) 0.000000(7) 0.3127(6) 0.28(4) 1.0000 Uiso . . . . . .
H72 H 1.1581(15) -0.058894(7) 0.3099(6) 0.28(4) 1.0000 Uiso . . . . . .
H73 H 1.1581(15) 0.058894(7) 0.3099(6) 0.28(4) 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
'Co  ' 0.2990 0.9730 12.2841 4.2791 7.3409 0.2784 4.0034 13.5359 2.3488 71.1693
1.0118 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
'O   ' 0.0080 0.0060 3.0485 13.2771 2.2868 5.7011 1.5463 0.3239 0.8670 32.9089
0.2508 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
C1 . Hg1 . Cl2 . 90.9(3) yes
C1 . Hg1 . Cl1 . 88.3(3) yes
Cl2 . Hg1 . Cl1 . 169.39(7) yes
C1 . Hg1 . Cl1 5_755 91.7(3) yes
Cl2 . Hg1 . Cl1 5_755 91.10(6) yes
Cl1 . Hg1 . Cl1 5_755 78.35(9) yes
C1 . Hg1 . Cl2 2_745 89.1(3) yes
Cl2 . Hg1 . Cl2 2_745 99.46(10) yes
Cl1 . Hg1 . Cl2 2_745 91.10(6) yes
Cl1 5_755 Hg1 . Cl2 2_745 169.39(7) yes
C1 . Hg1 . C1 5_755 180.0(6) yes
Cl2 . Hg1 . C1 5_755 89.1(3) yes
Cl1 . Hg1 . C1 5_755 91.7(3) yes
Cl1 5_755 Hg1 . C1 5_755 88.3(3) yes
Cl2 2_745 Hg1 . C1 5_755 90.9(3) yes
C2 . Hg2 . Cl1 . 87.7(4) yes
C2 . Hg2 . Cl1 6_555 87.7(4) yes
Cl1 . Hg2 . Cl1 6_555 82.72(9) yes
C2 . Hg2 . Cl1 5_855 92.3(4) yes
Cl1 . Hg2 . Cl1 5_855 97.28(9) yes
Cl1 6_555 Hg2 . Cl1 5_855 179.996 yes
C2 . Hg2 . Cl1 2_855 92.3(4) yes
Cl1 . Hg2 . Cl1 2_855 179.996 yes
Cl1 6_555 Hg2 . Cl1 2_855 97.28(9) yes
Cl1 5_855 Hg2 . Cl1 2_855 82.72(9) yes
C2 . Hg2 . C2 5_855 179.994 yes
Cl1 . Hg2 . C2 5_855 92.3(4) yes
Cl1 6_555 Hg2 . C2 5_855 92.3(4) yes
Cl1 5_855 Hg2 . C2 5_855 87.7(4) yes
Cl1 2_855 Hg2 . C2 5_855 87.7(4) yes
C3 . Hg3 . Cl1 . 84.1(3) yes
C3 . Hg3 . Cl2 6_645 94.5(3) yes
Cl1 . Hg3 . Cl2 6_645 170.06(7) yes
C3 . Hg3 . Cl2 2_745 94.5(3) yes
Cl1 . Hg3 . Cl2 2_745 91.88(7) yes
Cl2 6_645 Hg3 . Cl2 2_745 78.39(11) yes
C3 . Hg3 . Cl1 5_855 88.2(3) yes
Cl1 . Hg3 . Cl1 5_855 97.90(10) yes
Cl2 6_645 Hg3 . Cl1 5_855 91.88(7) yes
Cl2 2_745 Hg3 . Cl1 5_855 170.06(7) yes
C3 . Hg3 . C3 5_855 168.4(6) yes
Cl1 . Hg3 . C3 5_855 88.2(3) yes
Cl2 6_645 Hg3 . C3 5_855 94.5(3) yes
Cl2 2_745 Hg3 . C3 5_855 94.5(3) yes
Cl1 5_855 Hg3 . C3 5_855 84.1(3) yes
N7 . Co1 . N6 . 179.7(5) yes
N7 . Co1 . N5 . 89.9(4) yes
N6 . Co1 . N5 . 89.9(4) yes
N7 . Co1 . N4 . 90.6(4) yes
N6 . Co1 . N4 . 89.7(4) yes
N5 . Co1 . N4 . 179.3(4) yes
N7 . Co1 . N4 6_555 90.6(4) yes
N6 . Co1 . N4 6_555 89.7(4) yes
N5 . Co1 . N4 6_555 89.6(4) yes
N4 . Co1 . N4 6_555 90.9(5) yes
N7 . Co1 . N5 6_555 89.9(4) yes
N6 . Co1 . N5 6_555 89.9(4) yes
N5 . Co1 . N5 6_555 89.9(5) yes
N4 . Co1 . N5 6_555 89.6(4) yes
N4 6_555 Co1 . N5 6_555 179.3(4) yes
Hg1 5_755 Cl1 . Hg2 6_555 169.86(9) yes
Hg1 5_755 Cl1 . Hg3 5_855 88.01(6) yes
Hg2 6_555 Cl1 . Hg3 5_855 82.41(6) yes
Hg3 1_455 Cl2 . Hg3 2_745 101.61(11) yes
Hg3 1_455 Cl2 . Hg1 6_545 167.53(13) yes
Hg3 2_745 Cl2 . Hg1 6_545 88.544(19) yes
Hg3 1_455 Cl2 . Hg1 5_755 88.544(19) yes
Hg3 2_745 Cl2 . Hg1 5_755 167.53(13) yes
Hg1 6_545 Cl2 . Hg1 5_755 80.54(10) yes
H2 . O1 . H1 . 89.434(8) no
H2 . O1 . H2 6_555 159.924(3) no
H1 . O1 . H2 6_555 89.434(8) no
H46 . N4 . H45 . 109.476(5) no
H46 . N4 . H44 . 109.476(8) no
H45 . N4 . H44 . 109.476(8) no
H46 . N4 . H43 . 56.042(6) no
H45 . N4 . H43 . 141.066 no
H44 . N4 . H43 . 56.463(4) no
H46 . N4 . H42 . 141.066 no
H45 . N4 . H42 . 56.463(6) no
H44 . N4 . H42 . 56.042(5) no
H43 . N4 . H42 . 109.476(5) no
H46 . N4 . H41 . 56.463(4) no
H45 . N4 . H41 . 56.042(6) no
H44 . N4 . H41 . 141.066(4) no
H43 . N4 . H41 . 109.476(8) no
H42 . N4 . H41 . 109.476(8) no
H46 . N4 . Co1 6_555 109.5(3) no
H45 . N4 . Co1 6_555 109.5(3) no
H44 . N4 . Co1 6_555 109.5(3) no
H43 . N4 . Co1 6_555 109.5(3) no
H42 . N4 . Co1 6_555 109.5(3) no
H41 . N4 . Co1 6_555 109.5(3) no
H56 . N5 . H55 . 109.476(7) no
H56 . N5 . H54 . 109.476(8) no
H55 . N5 . H54 . 109.476(8) no
H56 . N5 . H53 . 56.044(6) no
H55 . N5 . H53 . 141.066 no
H54 . N5 . H53 . 56.461(5) no
H56 . N5 . H52 . 141.066 no
H55 . N5 . H52 . 56.461(6) no
H54 . N5 . H52 . 56.044(4) no
H53 . N5 . H52 . 109.476(6) no
H56 . N5 . H51 . 56.461(5) no
H55 . N5 . H51 . 56.044(4) no
H54 . N5 . H51 . 141.066(4) no
H53 . N5 . H51 . 109.476(8) no
H52 . N5 . H51 . 109.476(8) no
H56 . N5 . Co1 6_555 109.5(2) no
H55 . N5 . Co1 6_555 109.5(3) no
H54 . N5 . Co1 6_555 109.5(3) no
H53 . N5 . Co1 6_555 109.4(3) no
H52 . N5 . Co1 6_555 109.5(2) no
H51 . N5 . Co1 6_555 109.5(3) no
H63 . N6 . H62 . 107.007(7) no
H63 . N6 . H61 . 109.554(8) no
H62 . N6 . H61 . 109.554(8) no
H62 . N6 . H62 6_555 107.007(10) no
H61 . N6 . H62 6_555 109.554(5) no
H63 . N6 . H63 6_555 107.007(10) no
H61 . N6 . H63 6_555 109.554(5) no
H62 6_555 N6 . H63 6_555 107.007(7) no
H63 . N6 . Co1 6_555 109.6(2) no
H62 . N6 . Co1 6_555 109.6(2) no
H61 . N6 . Co1 6_555 111.4(4) no
H62 6_555 N6 . Co1 6_555 109.6(2) no
H63 6_555 N6 . Co1 6_555 109.6(2) no
H73 . N7 . H72 . 107.723(8) no
H73 . N7 . H71 . 109.935(7) no
H72 . N7 . H71 . 109.935(7) no
H72 . N7 . H72 6_555 107.723(10) no
H71 . N7 . H72 6_555 109.935(5) no
H73 . N7 . H73 6_555 107.723(10) no
H71 . N7 . H73 6_555 109.935(5) no
H72 6_555 N7 . H73 6_555 107.723(8) no
H73 . N7 . Co1 6_555 109.3(2) no
H72 . N7 . Co1 6_555 109.3(2) no
H71 . N7 . Co1 6_555 110.5(4) no
H72 6_555 N7 . Co1 6_555 109.3(2) no
H73 6_555 N7 . Co1 6_555 109.3(2) no
N1 . C1 . Hg1 5_755 178.2(11) yes
N2 6_555 C2 . Hg2 6_555 179.6(16) yes
N3 . C3 . Hg3 5_855 175.4(11) yes
H46 . H41 . H45 . 120.000(6) no
H46 . H41 . N4 . 61.769(6) no
H45 . H41 . N4 . 61.979(6) no
H45 . H42 . H44 . 120.000(4) no
H45 . H42 . N4 . 61.768(6) no
H44 . H42 . N4 . 61.978(6) no
H46 . H43 . H44 . 120.000(4) no
H46 . H43 . N4 . 61.979 no
H44 . H43 . N4 . 61.768(6) no
N4 . H44 . H43 . 61.769(5) no
N4 . H44 . H42 . 61.979(6) no
H43 . H44 . H42 . 120.000(6) no
N4 . H45 . H42 . 61.769(7) no
N4 . H45 . H41 . 61.979(6) no
H42 . H45 . H41 . 120.000(4) no
N4 . H46 . H41 . 61.768(5) no
N4 . H46 . H43 . 61.979(6) no
H41 . H46 . H43 . 120.000(6) no
H56 . H51 . H55 . 120.000(6) no
H56 . H51 . N5 . 61.770(6) no
H55 . H51 . N5 . 61.978(6) no
H55 . H52 . H54 . 120.000(4) no
H55 . H52 . N5 . 61.770 no
H54 . H52 . N5 . 61.978(6) no
H56 . H53 . H54 . 120.000(4) no
H56 . H53 . N5 . 61.978(6) no
H54 . H53 . N5 . 61.769(6) no
N5 . H54 . H53 . 61.770(5) no
N5 . H54 . H52 . 61.978(4) no
H53 . H54 . H52 . 120.000(6) no
N5 . H55 . H52 . 61.769(6) no
N5 . H55 . H51 . 61.978(5) no
H52 . H55 . H51 . 120.000(4) no
N5 . H56 . H51 . 61.769(6) no
N5 . H56 . H53 . 61.978(6) no
H51 . H56 . H53 . 120.000(6) no
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 . C1 . 2.025(11) yes
Hg1 . Cl2 . 3.078(3) yes
Hg1 . Cl1 . 3.119(3) yes
Hg1 . Cl1 5_755 3.119(3) yes
Hg1 . Cl2 2_745 3.078(3) yes
Hg1 . C1 5_755 2.025(11) yes
Hg2 . C2 . 2.030(17) yes
Hg2 . Cl1 . 3.087(3) yes
Hg2 . Cl1 6_555 3.087(3) yes
Hg2 . Cl1 5_855 3.087(3) yes
Hg2 . Cl1 2_855 3.087(3) yes
Hg2 . C2 5_855 2.030(17) yes
Hg3 . C3 . 2.032(12) yes
Hg3 . Cl1 . 3.072(2) yes
Hg3 . Cl2 6_645 3.083(2) yes
Hg3 . Cl2 2_745 3.083(2) yes
Hg3 . Cl1 5_855 3.072(2) yes
Hg3 . C3 5_855 2.032(12) yes
Co1 . N7 . 1.970(11) yes
Co1 . N6 . 1.904(11) yes
Co1 . N5 . 2.007(8) yes
Co1 . N4 . 1.975(9) yes
Co1 . N4 6_555 1.975(9) yes
Co1 . N5 6_555 2.007(8) yes
O1 . H2 . 1.23203(12) no
O1 . H1 . 1.03695(10) no
O1 . H2 6_555 1.2320(2) no
N1 . C1 . 1.138(16) yes
N2 . C2 . 1.12(2) yes
N3 . C3 . 1.119(15) yes
N4 . H46 . 0.93001(7) no
N4 . H45 . 0.93001(7) no
N4 . H44 . 0.93000(7) no
N4 . H43 . 0.93001(7) no
N4 . H42 . 0.93001(8) no
N4 . H41 . 0.93000(7) no
N5 . H56 . 0.93001(8) no
N5 . H55 . 0.93001(7) no
N5 . H54 . 0.93000(7) no
N5 . H53 . 0.93001(7) no
N5 . H52 . 0.93001(7) no
N5 . H51 . 0.93000(7) no
N6 . H63 . 0.94461(7) no
N6 . H62 . 0.94461(7) no
N6 . H61 . 0.91441(9) no
N6 . H62 6_555 0.94461(16) no
N6 . H63 6_555 0.94461(16) no
N7 . H73 . 0.94029(7) no
N7 . H72 . 0.94029(7) no
N7 . H71 . 0.91440(8) no
N7 . H72 6_555 0.94029(16) no
N7 . H73 6_555 0.94029(16) no
H41 . H46 . 0.87986(5) no
H41 . H45 . 0.87383(6) no
H42 . H45 . 0.87985(7) no
H42 . H44 . 0.87383(5) no
H43 . H46 . 0.87383(7) no
H43 . H44 . 0.87985(6) no
H51 . H56 . 0.87983(5) no
H51 . H55 . 0.87386(6) no
H52 . H55 . 0.87982(7) no
H52 . H54 . 0.87386(5) no
H53 . H56 . 0.87385(7) no
H53 . H54 . 0.87983(6) no
