#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:02:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179228 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/48/4314823.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_4314823
loop_
_publ_author_name
'Santanu Banerjee'
'John Sheckelton'
'Thomas J. Emge'
'John G. Brennan'
_publ_section_title
;
 Heterometallic Ln/Hg Tellurido Clusters
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              1728
_journal_page_last               1732
_journal_paper_doi               10.1021/ic9021189
_journal_volume                  49
_journal_year                    2010
_chemical_formula_moiety         'C53 H50 N7 Te7 Tm3 Hg, 2(C5 H5 N)'
_chemical_formula_sum            'C63 H60 Hg N9 Te7 Tm3'
_chemical_formula_weight         2543.78
_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
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                94.404(1)
_cell_angle_beta                 93.036(1)
_cell_angle_gamma                95.553(1)
_cell_formula_units_Z            2
_cell_length_a                   11.8238(6)
_cell_length_b                   13.0271(6)
_cell_length_c                   22.9005(11)
_cell_measurement_reflns_used    9882
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.49
_cell_measurement_theta_min      2.28
_cell_volume                     3494.0(3)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.994
_diffrn_measured_fraction_theta_max 0.994
_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  0.0475
_diffrn_reflns_av_sigmaI/netI    0.0779
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            36221
_diffrn_reflns_theta_full        28.28
_diffrn_reflns_theta_max         28.28
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    8.870
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.691
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.418
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lathe
_exptl_crystal_F_000             2304
_exptl_crystal_size_max          0.08
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.02
_refine_diff_density_max         2.955
_refine_diff_density_min         -1.132
_refine_diff_density_rms         0.258
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.003
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     685
_refine_ls_number_reflns         17251
_refine_ls_number_restraints     1123
_refine_ls_restrained_S_all      0.982
_refine_ls_R_factor_all          0.0811
_refine_ls_R_factor_gt           0.0481
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[σ²(Fo²)+(0.0400P)²+0.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0916
_refine_ls_wR_factor_ref         0.1019
_reflns_number_gt                12069
_reflns_number_total             17251
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9021189_si_001_1.cif
_cod_data_source_block           tmtete
_cod_depositor_comments
;
The following automatic conversions were performed:

'_symmetry_cell_setting' value 'Triclinic' changed to 'triclinic'
according to the built-in table from CIF Core dictionary named
'cif_core.dic' version 2.4.1 from 2010-06-29.

Automatic conversion script
Id: cif_fix_values 1646 2011-03-28 12:23:43Z adriana 
;
_cod_database_code               4314823
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_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 0.03440(3) 0.04185(3) 0.263575(16) 0.02338(8) Uani 1 1 d U . .
Tm1 Tm -0.20201(3) -0.01356(3) 0.352539(16) 0.01775(8) Uani 1 1 d U . .
Tm2 Tm -0.20141(3) -0.06951(3) 0.168548(17) 0.02055(9) Uani 1 1 d U A .
Tm3 Tm -0.00982(3) -0.23044(3) 0.282381(16) 0.01768(8) Uani 1 1 d U . .
Te1 Te 0.04165(4) -0.04853(4) 0.37154(2) 0.01856(12) Uani 1 1 d U . .
Te2 Te -0.18426(5) 0.12009(4) 0.25195(2) 0.02135(12) Uani 1 1 d U . .
Te3 Te 0.03911(5) -0.12642(4) 0.17374(2) 0.02060(12) Uani 1 1 d U . .
Te4 Te 0.20478(5) 0.18425(4) 0.23568(3) 0.02823(14) Uani 1 1 d U . .
Te5 Te -0.25664(4) -0.20220(4) 0.26746(2) 0.01911(12) Uani 1 1 d U . .
Te6 Te -0.15128(5) 0.16872(4) 0.44431(3) 0.02752(14) Uani 1 1 d U . .
Te7 Te -0.24638(6) -0.24552(5) 0.07167(3) 0.03754(17) Uani 1 1 d DU . .
C1 C 0.1948(8) 0.3059(7) 0.3023(4) 0.0274(17) Uani 1 1 d U . .
C2 C 0.2771(8) 0.3885(7) 0.3087(4) 0.0349(19) Uani 1 1 d U . .
H2 H 0.3399 0.3892 0.2846 0.042 Uiso 1 1 calc R . .
C3 C 0.2702(9) 0.4698(7) 0.3493(4) 0.038(2) Uani 1 1 d U . .
H3 H 0.3286 0.5258 0.3530 0.046 Uiso 1 1 calc R . .
C4 C 0.1819(9) 0.4718(7) 0.3840(5) 0.039(2) Uani 1 1 d U . .
H4 H 0.1779 0.5289 0.4120 0.047 Uiso 1 1 calc R . .
C5 C 0.0962(9) 0.3891(7) 0.3785(4) 0.0334(19) Uani 1 1 d U . .
H5 H 0.0336 0.3905 0.4028 0.040 Uiso 1 1 calc R . .
C6 C 0.1014(8) 0.3060(7) 0.3385(4) 0.0315(18) Uani 1 1 d U . .
H6 H 0.0435 0.2497 0.3351 0.038 Uiso 1 1 calc R . .
C7 C -0.2899(7) 0.2591(6) 0.4366(4) 0.0244(16) Uani 1 1 d U . .
C8 C -0.3156(8) 0.3225(7) 0.4837(4) 0.0338(19) Uani 1 1 d U . .
H8 H -0.2738 0.3219 0.5202 0.041 Uiso 1 1 calc R . .
C9 C -0.4025(8) 0.3884(8) 0.4789(5) 0.040(2) Uani 1 1 d U . .
H9 H -0.4156 0.4351 0.5112 0.048 Uiso 1 1 calc R . .
C10 C -0.4674(8) 0.3852(8) 0.4283(5) 0.037(2) Uani 1 1 d U . .
H10 H -0.5273 0.4284 0.4253 0.045 Uiso 1 1 calc R . .
C11 C -0.4464(8) 0.3194(7) 0.3813(4) 0.0336(19) Uani 1 1 d U . .
H11 H -0.4937 0.3150 0.3462 0.040 Uiso 1 1 calc R . .
C12 C -0.3584(7) 0.2608(6) 0.3851(4) 0.0247(17) Uani 1 1 d U . .
H12 H -0.3424 0.2190 0.3513 0.030 Uiso 1 1 calc R . .
C13A C -0.4107(8) -0.2544(7) 0.0269(6) 0.044(4) Uiso 0.50 1 d PGDU A 1
C14A C -0.4655(9) -0.3504(7) 0.0061(7) 0.056(4) Uiso 0.50 1 d PGDU A 1
H14A H -0.4301 -0.4115 0.0119 0.067 Uiso 0.50 1 calc PR A 1
C15A C -0.5722(9) -0.3571(10) -0.0233(7) 0.068(5) Uiso 0.50 1 d PGDU A 1
H15A H -0.6097 -0.4227 -0.0376 0.081 Uiso 0.50 1 calc PR A 1
C16A C -0.6241(8) -0.2676(12) -0.0319(7) 0.064(4) Uiso 0.50 1 d PGDU A 1
H16A H -0.6970 -0.2722 -0.0520 0.077 Uiso 0.50 1 calc PR A 1
C17A C -0.5692(8) -0.1716(10) -0.0111(7) 0.050(4) Uiso 0.50 1 d PGDU A 1
H17A H -0.6047 -0.1105 -0.0169 0.060 Uiso 0.50 1 calc PR A 1
C18A C -0.4625(8) -0.1650(7) 0.0183(7) 0.037(4) Uiso 0.50 1 d PGDU A 1
H18A H -0.4250 -0.0993 0.0325 0.044 Uiso 0.50 1 calc PR A 1
C13B C -0.4178(6) -0.2649(9) 0.0369(6) 0.049(4) Uiso 0.50 1 d PGDU A 2
C14B C -0.4919(8) -0.3455(9) 0.0535(7) 0.057(4) Uiso 0.50 1 d PGDU A 2
H14B H -0.4636 -0.3966 0.0762 0.068 Uiso 0.50 1 calc PR A 2
C15B C -0.6072(7) -0.3514(11) 0.0368(7) 0.069(5) Uiso 0.50 1 d PGDU A 2
H15B H -0.6579 -0.4065 0.0481 0.083 Uiso 0.50 1 calc PR A 2
C16B C -0.6486(6) -0.2767(12) 0.0036(7) 0.062(4) Uiso 0.50 1 d PGDU A 2
H16B H -0.7274 -0.2807 -0.0078 0.075 Uiso 0.50 1 calc PR A 2
C17B C -0.5745(8) -0.1961(11) -0.0130(7) 0.053(4) Uiso 0.50 1 d PGDU A 2
H17B H -0.6027 -0.1450 -0.0357 0.064 Uiso 0.50 1 calc PR A 2
C18B C -0.4591(8) -0.1902(9) 0.0036(6) 0.034(3) Uiso 0.50 1 d PGDU A 2
H18B H -0.4085 -0.1351 -0.0077 0.041 Uiso 0.50 1 calc PR A 2
N1 N -0.4040(6) -0.0018(5) 0.3626(3) 0.0213(13) Uani 1 1 d U . .
C19 C -0.4487(7) 0.0230(6) 0.4140(4) 0.0233(16) Uani 1 1 d U . .
H19 H -0.4014 0.0250 0.4490 0.028 Uiso 1 1 calc R . .
C20 C -0.5587(7) 0.0457(7) 0.4185(4) 0.0295(18) Uani 1 1 d U . .
H20 H -0.5869 0.0624 0.4558 0.035 Uiso 1 1 calc R . .
C21 C -0.6285(8) 0.0437(7) 0.3674(4) 0.0295(18) Uani 1 1 d U . .
H21 H -0.7050 0.0596 0.3692 0.035 Uiso 1 1 calc R . .
C22 C -0.5848(7) 0.0185(7) 0.3146(4) 0.0277(18) Uani 1 1 d U . .
H22 H -0.6306 0.0168 0.2791 0.033 Uiso 1 1 calc R . .
C23 C -0.4741(7) -0.0041(7) 0.3138(4) 0.0251(17) Uani 1 1 d U . .
H23 H -0.4450 -0.0224 0.2769 0.030 Uiso 1 1 calc R . .
N2 N -0.2390(6) -0.1279(5) 0.4335(3) 0.0212(13) Uani 1 1 d U . .
C24 C -0.3195(7) -0.2101(7) 0.4261(4) 0.0284(18) Uani 1 1 d U . .
H24 H -0.3639 -0.2213 0.3900 0.034 Uiso 1 1 calc R . .
C25 C -0.3400(8) -0.2781(7) 0.4683(4) 0.036(2) Uani 1 1 d U . .
H25 H -0.3974 -0.3347 0.4616 0.043 Uiso 1 1 calc R . .
C26 C -0.2759(8) -0.2622(7) 0.5201(4) 0.0322(19) Uani 1 1 d U . .
H26 H -0.2889 -0.3075 0.5501 0.039 Uiso 1 1 calc R . .
C27 C -0.1929(7) -0.1807(7) 0.5286(4) 0.0264(17) Uani 1 1 d U . .
H27 H -0.1463 -0.1700 0.5640 0.032 Uiso 1 1 calc R . .
C28 C -0.1782(7) -0.1147(6) 0.4849(4) 0.0203(16) Uani 1 1 d U . .
H28 H -0.1222 -0.0569 0.4916 0.024 Uiso 1 1 calc R . .
N3 N -0.4041(6) -0.0474(6) 0.1513(3) 0.0239(14) Uani 1 1 d U . .
C29 C -0.4861(8) -0.1272(7) 0.1556(4) 0.0315(18) Uani 1 1 d U A .
H29 H -0.4632 -0.1935 0.1620 0.038 Uiso 1 1 calc R . .
C30 C -0.6010(8) -0.1155(8) 0.1511(4) 0.036(2) Uani 1 1 d U . .
H30 H -0.6563 -0.1725 0.1539 0.043 Uiso 1 1 calc R A .
C31 C -0.6329(8) -0.0200(8) 0.1424(4) 0.038(2) Uani 1 1 d U A .
H31 H -0.7114 -0.0099 0.1400 0.046 Uiso 1 1 calc R . .
C32 C -0.5522(8) 0.0626(8) 0.1370(4) 0.036(2) Uani 1 1 d U . .
H32 H -0.5734 0.1294 0.1303 0.044 Uiso 1 1 calc R A .
C33 C -0.4378(8) 0.0427(7) 0.1419(4) 0.0322(19) Uani 1 1 d U A .
H33 H -0.3812 0.0983 0.1381 0.039 Uiso 1 1 calc R . .
N4 N -0.1435(6) 0.0466(6) 0.0924(3) 0.0288(15) Uani 1 1 d U . .
C34 C -0.0539(8) 0.1199(7) 0.1046(4) 0.0327(19) Uani 1 1 d U A .
H34 H -0.0264 0.1353 0.1443 0.039 Uiso 1 1 calc R . .
C35 C -0.0019(9) 0.1720(8) 0.0630(5) 0.039(2) Uani 1 1 d U . .
H35 H 0.0619 0.2213 0.0736 0.046 Uiso 1 1 calc R A .
C36 C -0.0415(9) 0.1533(8) 0.0057(5) 0.040(2) Uani 1 1 d U A .
H36 H -0.0066 0.1895 -0.0242 0.048 Uiso 1 1 calc R . .
C37 C -0.1301(9) 0.0831(8) -0.0070(5) 0.041(2) Uani 1 1 d U . .
H37 H -0.1596 0.0685 -0.0465 0.049 Uiso 1 1 calc R A .
C38 C -0.1793(8) 0.0313(8) 0.0371(4) 0.037(2) Uani 1 1 d U A .
H38 H -0.2429 -0.0183 0.0266 0.044 Uiso 1 1 calc R . .
N5 N -0.0296(6) -0.4020(5) 0.2273(3) 0.0268(14) Uani 1 1 d U . .
C39 C -0.1001(8) -0.4099(7) 0.1791(4) 0.0318(18) Uani 1 1 d U . .
H39 H -0.1301 -0.3494 0.1669 0.038 Uiso 1 1 calc R . .
C40 C -0.1308(8) -0.5030(7) 0.1466(5) 0.038(2) Uani 1 1 d U . .
H40 H -0.1799 -0.5060 0.1121 0.045 Uiso 1 1 calc R . .
C41 C -0.0892(9) -0.5918(8) 0.1647(5) 0.044(2) Uani 1 1 d U . .
H41 H -0.1113 -0.6570 0.1437 0.053 Uiso 1 1 calc R . .
C42 C -0.0162(9) -0.5842(7) 0.2130(5) 0.040(2) Uani 1 1 d U . .
H42 H 0.0155 -0.6438 0.2254 0.049 Uiso 1 1 calc R . .
C43 C 0.0114(8) -0.4888(7) 0.2437(4) 0.0331(19) Uani 1 1 d U . .
H43 H 0.0614 -0.4844 0.2779 0.040 Uiso 1 1 calc R . .
N6 N 0.1891(6) -0.2635(5) 0.3026(3) 0.0275(15) Uani 1 1 d U . .
C44 C 0.2411(8) -0.3023(8) 0.2562(5) 0.0364(19) Uani 1 1 d U . .
H44 H 0.1970 -0.3234 0.2206 0.044 Uiso 1 1 calc R . .
C45 C 0.3574(8) -0.3124(8) 0.2585(5) 0.038(2) Uani 1 1 d U . .
H45 H 0.3915 -0.3389 0.2246 0.045 Uiso 1 1 calc R . .
C46 C 0.4220(8) -0.2847(7) 0.3088(5) 0.0351(19) Uani 1 1 d U . .
H46 H 0.5013 -0.2918 0.3107 0.042 Uiso 1 1 calc R . .
C47 C 0.3710(8) -0.2461(7) 0.3574(5) 0.0348(19) Uani 1 1 d U . .
H47 H 0.4143 -0.2268 0.3934 0.042 Uiso 1 1 calc R . .
C48 C 0.2545(7) -0.2357(7) 0.3527(4) 0.0305(18) Uani 1 1 d U . .
H48 H 0.2197 -0.2080 0.3861 0.037 Uiso 1 1 calc R . .
N7 N -0.0641(6) -0.3427(5) 0.3592(3) 0.0232(14) Uani 1 1 d U . .
C49 C -0.1445(7) -0.4236(7) 0.3493(4) 0.0294(18) Uani 1 1 d U . .
H49 H -0.1786 -0.4387 0.3107 0.035 Uiso 1 1 calc R . .
C50 C -0.1802(8) -0.4857(7) 0.3923(4) 0.0335(19) Uani 1 1 d U . .
H50 H -0.2372 -0.5421 0.3833 0.040 Uiso 1 1 calc R . .
C51 C -0.1315(8) -0.4645(7) 0.4482(4) 0.0346(19) Uani 1 1 d U . .
H51 H -0.1543 -0.5057 0.4788 0.041 Uiso 1 1 calc R . .
C52 C -0.0494(8) -0.3827(7) 0.4589(4) 0.0307(18) Uani 1 1 d U . .
H52 H -0.0139 -0.3669 0.4971 0.037 Uiso 1 1 calc R . .
C53 C -0.0185(7) -0.3236(7) 0.4140(4) 0.0244(17) Uani 1 1 d U . .
H53 H 0.0379 -0.2665 0.4223 0.029 Uiso 1 1 calc R . .
N8 N 0.1941(15) 0.5833(14) 0.1307(7) 0.129(4) Uani 1 1 d U . .
C54 C 0.1487(17) 0.6215(16) 0.0846(9) 0.122(4) Uani 1 1 d U . .
H54 H 0.1322 0.6915 0.0888 0.146 Uiso 1 1 calc R . .
C55 C 0.1240(16) 0.5694(15) 0.0320(9) 0.115(4) Uani 1 1 d U . .
H55 H 0.0896 0.6008 0.0003 0.138 Uiso 1 1 calc R . .
C56 C 0.1503(11) 0.4694(10) 0.0257(7) 0.110(4) Uani 1 1 d U . .
H56 H 0.1302 0.4290 -0.0104 0.132 Uiso 1 1 calc R . .
C57 C 0.2057(11) 0.4260(10) 0.0712(7) 0.111(4) Uani 1 1 d RU . .
H57 H 0.2341 0.3603 0.0667 0.134 Uiso 1 1 calc R . .
C58 C 0.2155(17) 0.4838(16) 0.1208(9) 0.122(4) Uani 1 1 d U . .
H58 H 0.2409 0.4516 0.1543 0.147 Uiso 1 1 calc R . .
N9A N 0.5568(13) 0.3171(9) 0.1563(7) 0.068(4) Uiso 0.50 1 d PGU B 1
C59A C 0.5943(14) 0.3349(10) 0.2151(7) 0.056(4) Uiso 0.50 1 d PGU B 1
H59A H 0.6081 0.2784 0.2374 0.068 Uiso 0.50 1 calc PR B 1
C60A C 0.6115(14) 0.4355(12) 0.2413(5) 0.058(4) Uiso 0.50 1 d PGU B 1
H60A H 0.6371 0.4477 0.2814 0.070 Uiso 0.50 1 calc PR B 1
C61A C 0.5912(14) 0.5182(9) 0.2086(7) 0.053(4) Uiso 0.50 1 d PGU B 1
H61A H 0.6029 0.5870 0.2265 0.064 Uiso 0.50 1 calc PR B 1
C62A C 0.5537(14) 0.5004(10) 0.1498(7) 0.062(4) Uiso 0.50 1 d PGU B 1
H62A H 0.5398 0.5569 0.1275 0.074 Uiso 0.50 1 calc PR B 1
C63A C 0.5365(13) 0.3998(12) 0.1237(5) 0.063(4) Uiso 0.50 1 d PGU B 1
H63A H 0.5109 0.3876 0.0835 0.076 Uiso 0.50 1 calc PR B 1
N9B N 0.6675(10) 0.4823(10) 0.2373(6) 0.050(4) Uiso 0.50 1 d PGU C 2
C59B C 0.5926(13) 0.5267(8) 0.2003(7) 0.056(4) Uiso 0.50 1 d PGU C 2
H59B H 0.6032 0.5988 0.1958 0.067 Uiso 0.50 1 calc PR C 2
C60B C 0.5022(11) 0.4655(11) 0.1699(6) 0.053(4) Uiso 0.50 1 d PGU C 2
H60B H 0.4510 0.4959 0.1446 0.064 Uiso 0.50 1 calc PR C 2
C61B C 0.4867(11) 0.3600(11) 0.1766(6) 0.055(4) Uiso 0.50 1 d PGU C 2
H61B H 0.4249 0.3183 0.1558 0.066 Uiso 0.50 1 calc PR C 2
C62B C 0.5616(12) 0.3157(8) 0.2136(7) 0.054(4) Uiso 0.50 1 d PGU C 2
H62B H 0.5510 0.2436 0.2181 0.064 Uiso 0.50 1 calc PR C 2
C63B C 0.6520(11) 0.3768(10) 0.2440(6) 0.049(4) Uiso 0.50 1 d PGU C 2
H63B H 0.7032 0.3465 0.2693 0.058 Uiso 0.50 1 calc PR C 2
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'
Te Te -0.5308 1.6751 'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
Tm Tm -0.3139 5.2483 '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
Te4 Hg1 Te1 121.61(2) . . ?
Te4 Hg1 Te2 111.23(2) . . ?
Te1 Hg1 Te2 106.187(18) . . ?
Te4 Hg1 Te3 103.23(2) . . ?
Te1 Hg1 Te3 105.951(19) . . ?
Te2 Hg1 Te3 107.824(19) . . ?
Te4 Hg1 Tm2 126.141(19) . . ?
Te1 Hg1 Tm2 111.989(16) . . ?
Te2 Hg1 Tm2 54.007(14) . . ?
Te3 Hg1 Tm2 54.280(14) . . ?
Te4 Hg1 Tm1 147.092(19) . . ?
Te1 Hg1 Tm1 53.616(13) . . ?
Te2 Hg1 Tm1 53.786(14) . . ?
Te3 Hg1 Tm1 109.270(15) . . ?
Tm2 Hg1 Tm1 72.255(11) . . ?
Te4 Hg1 Tm3 138.872(18) . . ?
Te1 Hg1 Tm3 54.117(14) . . ?
Te2 Hg1 Tm3 108.417(15) . . ?
Te3 Hg1 Tm3 53.315(13) . . ?
Tm2 Hg1 Tm3 71.376(10) . . ?
Tm1 Hg1 Tm3 69.152(10) . . ?
N1 Tm1 N2 79.1(2) . . ?
N1 Tm1 Te1 164.82(16) . . ?
N2 Tm1 Te1 86.43(15) . . ?
N1 Tm1 Te2 95.22(16) . . ?
N2 Tm1 Te2 173.90(15) . . ?
Te1 Tm1 Te2 99.419(18) . . ?
N1 Tm1 Te5 90.10(17) . . ?
N2 Tm1 Te5 87.88(16) . . ?
Te1 Tm1 Te5 93.880(17) . . ?
Te2 Tm1 Te5 89.990(18) . . ?
N1 Tm1 Te6 88.87(17) . . ?
N2 Tm1 Te6 88.67(16) . . ?
Te1 Tm1 Te6 86.293(18) . . ?
Te2 Tm1 Te6 93.405(19) . . ?
Te5 Tm1 Te6 176.53(2) . . ?
N1 Tm1 Hg1 145.38(16) . . ?
N2 Tm1 Hg1 134.59(15) . . ?
Te1 Tm1 Hg1 49.739(13) . . ?
Te2 Tm1 Hg1 50.754(13) . . ?
Te5 Tm1 Hg1 84.479(14) . . ?
Te6 Tm1 Hg1 98.240(16) . . ?
N3 Tm2 N4 92.9(2) . . ?
N3 Tm2 Te2 87.53(17) . . ?
N4 Tm2 Te2 86.83(18) . . ?
N3 Tm2 Te3 170.26(17) . . ?
N4 Tm2 Te3 86.94(17) . . ?
Te2 Tm2 Te3 102.179(19) . . ?
N3 Tm2 Te5 90.31(16) . . ?
N4 Tm2 Te5 175.48(18) . . ?
Te2 Tm2 Te5 90.127(18) . . ?
Te3 Tm2 Te5 90.441(17) . . ?
N3 Tm2 Te7 84.94(17) . . ?
N4 Tm2 Te7 88.11(18) . . ?
Te2 Tm2 Te7 170.71(2) . . ?
Te3 Tm2 Te7 85.320(19) . . ?
Te5 Tm2 Te7 95.34(2) . . ?
N3 Tm2 Hg1 138.29(17) . . ?
N4 Tm2 Hg1 90.49(18) . . ?
Te2 Tm2 Hg1 51.156(13) . . ?
Te3 Tm2 Hg1 51.441(14) . . ?
Te5 Tm2 Hg1 85.000(15) . . ?
Te7 Tm2 Hg1 136.741(18) . . ?
N7 Tm3 N6 88.6(2) . . ?
N7 Tm3 N5 78.8(2) . . ?
N6 Tm3 N5 85.0(2) . . ?
N7 Tm3 Te3 169.52(17) . . ?
N6 Tm3 Te3 93.89(17) . . ?
N5 Tm3 Te3 91.25(17) . . ?
N7 Tm3 Te5 85.95(16) . . ?
N6 Tm3 Te5 174.49(17) . . ?
N5 Tm3 Te5 94.33(17) . . ?
Te3 Tm3 Te5 91.585(18) . . ?
N7 Tm3 Te1 90.88(17) . . ?
N6 Tm3 Te1 85.67(18) . . ?
N5 Tm3 Te1 166.23(17) . . ?
Te3 Tm3 Te1 99.467(18) . . ?
Te5 Tm3 Te1 93.992(17) . . ?
N7 Tm3 Hg1 138.42(17) . . ?
N6 Tm3 Hg1 99.01(17) . . ?
N5 Tm3 Hg1 142.30(17) . . ?
Te3 Tm3 Hg1 51.189(13) . . ?
Te5 Tm3 Hg1 84.876(14) . . ?
Te1 Tm3 Hg1 49.593(13) . . ?
Hg1 Te1 Tm1 76.644(16) . . ?
Hg1 Te1 Tm3 76.290(17) . . ?
Tm1 Te1 Tm3 86.179(17) . . ?
Hg1 Te2 Tm2 74.837(16) . . ?
Hg1 Te2 Tm1 75.461(16) . . ?
Tm2 Te2 Tm1 89.717(18) . . ?
Hg1 Te3 Tm3 75.496(17) . . ?
Hg1 Te3 Tm2 74.279(16) . . ?
Tm3 Te3 Tm2 88.525(17) . . ?
C1 Te4 Hg1 101.2(2) . . ?
Tm3 Te5 Tm1 85.830(17) . . ?
Tm3 Te5 Tm2 88.345(17) . . ?
Tm1 Te5 Tm2 88.917(18) . . ?
C7 Te6 Tm1 106.1(2) . . ?
C13B Te7 C13A 7.8(6) . . ?
C13B Te7 Tm2 112.9(4) . . ?
C13A Te7 Tm2 114.2(3) . . ?
C2 C1 C6 118.8(9) . . ?
C2 C1 Te4 119.9(7) . . ?
C6 C1 Te4 121.2(7) . . ?
C3 C2 C1 121.2(10) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 121.0(10) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 119.4(10) . . ?
C3 C4 H4 120.3 . . ?
C5 C4 H4 120.3 . . ?
C6 C5 C4 120.8(10) . . ?
C6 C5 H5 119.6 . . ?
C4 C5 H5 119.6 . . ?
C5 C6 C1 118.7(9) . . ?
C5 C6 H6 120.6 . . ?
C1 C6 H6 120.6 . . ?
C8 C7 C12 116.0(8) . . ?
C8 C7 Te6 119.9(7) . . ?
C12 C7 Te6 124.0(6) . . ?
C7 C8 C9 121.3(10) . . ?
C7 C8 H8 119.3 . . ?
C9 C8 H8 119.3 . . ?
C10 C9 C8 119.9(10) . . ?
C10 C9 H9 120.1 . . ?
C8 C9 H9 120.1 . . ?
C9 C10 C11 119.9(9) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 119.8(10) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C7 122.9(9) . . ?
C11 C12 H12 118.6 . . ?
C7 C12 H12 118.6 . . ?
C14A C13A C18A 120.0 . . ?
C14A C13A Te7 119.5(3) . . ?
C18A C13A Te7 120.5(3) . . ?
C13A C14A C15A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C16A C15A C14A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C15A C16A C17A 120.0 . . ?
C15A C16A H16A 120.0 . . ?
C17A C16A H16A 120.0 . . ?
C18A C17A C16A 120.0 . . ?
C18A C17A H17A 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C17A C18A C13A 120.0 . . ?
C17A C18A H18A 120.0 . . ?
C13A C18A H18A 120.0 . . ?
C14B C13B C18B 120.0 . . ?
C14B C13B Te7 119.6(3) . . ?
C18B C13B Te7 119.9(3) . . ?
C15B C14B C13B 120.0 . . ?
C15B C14B H14B 120.0 . . ?
C13B C14B H14B 120.0 . . ?
C16B C15B C14B 120.0 . . ?
C16B C15B H15B 120.0 . . ?
C14B C15B H15B 120.0 . . ?
C15B C16B C17B 120.0 . . ?
C15B C16B H16B 120.0 . . ?
C17B C16B H16B 120.0 . . ?
C18B C17B C16B 120.0 . . ?
C18B C17B H17B 120.0 . . ?
C16B C17B H17B 120.0 . . ?
C17B C18B C13B 120.0 . . ?
C17B C18B H18B 120.0 . . ?
C13B C18B H18B 120.0 . . ?
C19 N1 C23 116.5(7) . . ?
C19 N1 Tm1 123.4(6) . . ?
C23 N1 Tm1 119.3(6) . . ?
N1 C19 C20 123.5(8) . . ?
N1 C19 H19 118.3 . . ?
C20 C19 H19 118.3 . . ?
C19 C20 C21 118.7(8) . . ?
C19 C20 H20 120.7 . . ?
C21 C20 H20 120.7 . . ?
C22 C21 C20 118.9(8) . . ?
C22 C21 H21 120.6 . . ?
C20 C21 H21 120.6 . . ?
C21 C22 C23 118.9(9) . . ?
C21 C22 H22 120.5 . . ?
C23 C22 H22 120.5 . . ?
N1 C23 C22 123.5(8) . . ?
N1 C23 H23 118.2 . . ?
C22 C23 H23 118.2 . . ?
C28 N2 C24 116.6(7) . . ?
C28 N2 Tm1 122.4(5) . . ?
C24 N2 Tm1 120.9(6) . . ?
N2 C24 C25 123.3(9) . . ?
N2 C24 H24 118.3 . . ?
C25 C24 H24 118.3 . . ?
C26 C25 C24 118.3(9) . . ?
C26 C25 H25 120.8 . . ?
C24 C25 H25 120.8 . . ?
C25 C26 C27 119.8(9) . . ?
C25 C26 H26 120.1 . . ?
C27 C26 H26 120.1 . . ?
C26 C27 C28 118.8(9) . . ?
C26 C27 H27 120.6 . . ?
C28 C27 H27 120.6 . . ?
N2 C28 C27 123.1(8) . . ?
N2 C28 H28 118.5 . . ?
C27 C28 H28 118.5 . . ?
C33 N3 C29 117.5(8) . . ?
C33 N3 Tm2 121.3(6) . . ?
C29 N3 Tm2 121.1(6) . . ?
N3 C29 C30 122.7(9) . . ?
N3 C29 H29 118.6 . . ?
C30 C29 H29 118.6 . . ?
C31 C30 C29 118.2(9) . . ?
C31 C30 H30 120.9 . . ?
C29 C30 H30 120.9 . . ?
C30 C31 C32 120.8(9) . . ?
C30 C31 H31 119.6 . . ?
C32 C31 H31 119.6 . . ?
C31 C32 C33 116.7(9) . . ?
C31 C32 H32 121.7 . . ?
C33 C32 H32 121.7 . . ?
N3 C33 C32 124.2(9) . . ?
N3 C33 H33 117.9 . . ?
C32 C33 H33 117.9 . . ?
C38 N4 C34 115.3(8) . . ?
C38 N4 Tm2 124.1(6) . . ?
C34 N4 Tm2 119.3(6) . . ?
C35 C34 N4 123.3(9) . . ?
C35 C34 H34 118.3 . . ?
N4 C34 H34 118.3 . . ?
C34 C35 C36 119.6(10) . . ?
C34 C35 H35 120.2 . . ?
C36 C35 H35 120.2 . . ?
C37 C36 C35 118.0(10) . . ?
C37 C36 H36 121.0 . . ?
C35 C36 H36 121.0 . . ?
C36 C37 C38 120.1(10) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
N4 C38 C37 123.7(10) . . ?
N4 C38 H38 118.2 . . ?
C37 C38 H38 118.2 . . ?
C39 N5 C43 117.7(8) . . ?
C39 N5 Tm3 114.5(6) . . ?
C43 N5 Tm3 127.4(6) . . ?
N5 C39 C40 122.3(9) . . ?
N5 C39 H39 118.8 . . ?
C40 C39 H39 118.8 . . ?
C39 C40 C41 119.2(9) . . ?
C39 C40 H40 120.4 . . ?
C41 C40 H40 120.4 . . ?
C42 C41 C40 119.0(10) . . ?
C42 C41 H41 120.5 . . ?
C40 C41 H41 120.5 . . ?
C41 C42 C43 119.1(9) . . ?
C41 C42 H42 120.4 . . ?
C43 C42 H42 120.4 . . ?
N5 C43 C42 122.7(9) . . ?
N5 C43 H43 118.6 . . ?
C42 C43 H43 118.6 . . ?
C44 N6 C48 117.2(8) . . ?
C44 N6 Tm3 115.2(6) . . ?
C48 N6 Tm3 127.1(6) . . ?
N6 C44 C45 122.1(10) . . ?
N6 C44 H44 118.9 . . ?
C45 C44 H44 118.9 . . ?
C46 C45 C44 120.3(10) . . ?
C46 C45 H45 119.9 . . ?
C44 C45 H45 119.9 . . ?
C45 C46 C47 119.0(9) . . ?
C45 C46 H46 120.5 . . ?
C47 C46 H46 120.5 . . ?
C46 C47 C48 118.8(9) . . ?
C46 C47 H47 120.6 . . ?
C48 C47 H47 120.6 . . ?
N6 C48 C47 122.7(9) . . ?
N6 C48 H48 118.7 . . ?
C47 C48 H48 118.7 . . ?
C53 N7 C49 116.6(7) . . ?
C53 N7 Tm3 121.2(6) . . ?
C49 N7 Tm3 122.1(6) . . ?
N7 C49 C50 123.4(9) . . ?
N7 C49 H49 118.3 . . ?
C50 C49 H49 118.3 . . ?
C51 C50 C49 118.6(9) . . ?
C51 C50 H50 120.7 . . ?
C49 C50 H50 120.7 . . ?
C52 C51 C50 118.6(9) . . ?
C52 C51 H51 120.7 . . ?
C50 C51 H51 120.7 . . ?
C51 C52 C53 119.7(9) . . ?
C51 C52 H52 120.2 . . ?
C53 C52 H52 120.2 . . ?
N7 C53 C52 123.0(8) . . ?
N7 C53 H53 118.5 . . ?
C52 C53 H53 118.5 . . ?
C54 N8 C58 113.6(19) . . ?
N8 C54 C55 125(2) . . ?
N8 C54 H54 117.5 . . ?
C55 C54 H54 117.5 . . ?
C54 C55 C56 117(2) . . ?
C54 C55 H55 121.4 . . ?
C56 C55 H55 121.4 . . ?
C55 C56 C57 120.9(12) . . ?
C55 C56 H56 119.5 . . ?
C57 C56 H56 119.5 . . ?
C58 C57 C56 114.0(12) . . ?
C58 C57 H57 123.0 . . ?
C56 C57 H57 123.0 . . ?
C57 C58 N8 128(2) . . ?
C57 C58 H58 115.8 . . ?
N8 C58 H58 115.8 . . ?
C59A N9A C63A 120.0 . . ?
N9A C59A C60A 120.0 . . ?
N9A C59A H59A 120.0 . . ?
C60A C59A H59A 120.0 . . ?
C61A C60A C59A 120.0 . . ?
C61A C60A H60A 120.0 . . ?
C59A C60A H60A 120.0 . . ?
C60A C61A C62A 120.0 . . ?
C60A C61A H61A 120.0 . . ?
C62A C61A H61A 120.0 . . ?
C63A C62A C61A 120.0 . . ?
C63A C62A H62A 120.0 . . ?
C61A C62A H62A 120.0 . . ?
C62A C63A N9A 120.0 . . ?
C62A C63A H63A 120.0 . . ?
N9A C63A H63A 120.0 . . ?
C59B N9B C63B 120.0 . . ?
N9B C59B C60B 120.0 . . ?
N9B C59B H59B 120.0 . . ?
C60B C59B H59B 120.0 . . ?
C61B C60B C59B 120.0 . . ?
C61B C60B H60B 120.0 . . ?
C59B C60B H60B 120.0 . . ?
C62B C61B C60B 120.0 . . ?
C62B C61B H61B 120.0 . . ?
C60B C61B H61B 120.0 . . ?
C63B C62B C61B 120.0 . . ?
C63B C62B H62B 120.0 . . ?
C61B C62B H62B 120.0 . . ?
C62B C63B N9B 120.0 . . ?
C62B C63B H63B 120.0 . . ?
N9B C63B H63B 120.0 . . ?
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 Te4 2.7391(7) . ?
Hg1 Te1 2.8196(7) . ?
Hg1 Te2 2.8762(6) . ?
Hg1 Te3 2.8955(7) . ?
Hg1 Tm2 3.5643(5) . ?
Hg1 Tm1 3.5950(5) . ?
Hg1 Tm3 3.5974(5) . ?
Tm1 N1 2.430(7) . ?
Tm1 N2 2.496(7) . ?
Tm1 Te1 2.9746(6) . ?
Tm1 Te2 2.9964(7) . ?
Tm1 Te5 3.0126(7) . ?
Tm1 Te6 3.0396(7) . ?
Tm2 N3 2.456(7) . ?
Tm2 N4 2.477(7) . ?
Tm2 Te2 2.9878(7) . ?
Tm2 Te3 3.0062(7) . ?
Tm2 Te5 3.0140(7) . ?
Tm2 Te7 3.0528(8) . ?
Tm3 N7 2.444(7) . ?
Tm3 N6 2.458(7) . ?
Tm3 N5 2.464(7) . ?
Tm3 Te3 2.9798(7) . ?
Tm3 Te5 2.9817(6) . ?
Tm3 Te1 3.0002(7) . ?
Te4 C1 2.130(9) . ?
Te6 C7 2.116(9) . ?
Te7 C13B 2.123(7) . ?
Te7 C13A 2.137(7) . ?
C1 C2 1.373(12) . ?
C1 C6 1.415(13) . ?
C2 C3 1.364(13) . ?
C2 H2 0.9500 . ?
C3 C4 1.346(14) . ?
C3 H3 0.9500 . ?
C4 C5 1.400(13) . ?
C4 H4 0.9500 . ?
C5 C6 1.371(13) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C8 1.373(12) . ?
C7 C12 1.398(12) . ?
C8 C9 1.407(13) . ?
C8 H8 0.9500 . ?
C9 C10 1.350(14) . ?
C9 H9 0.9500 . ?
C10 C11 1.373(13) . ?
C10 H10 0.9500 . ?
C11 C12 1.352(12) . ?
C11 H11 0.9500 . ?
C12 H12 0.9500 . ?
C13A C14A 1.3900 . ?
C13A C18A 1.3900 . ?
C14A C15A 1.3900 . ?
C14A H14A 0.9500 . ?
C15A C16A 1.3900 . ?
C15A H15A 0.9500 . ?
C16A C17A 1.3900 . ?
C16A H16A 0.9500 . ?
C17A C18A 1.3900 . ?
C17A H17A 0.9500 . ?
C18A H18A 0.9500 . ?
C13B C14B 1.3900 . ?
C13B C18B 1.3900 . ?
C14B C15B 1.3900 . ?
C14B H14B 0.9500 . ?
C15B C16B 1.3900 . ?
C15B H15B 0.9500 . ?
C16B C17B 1.3900 . ?
C16B H16B 0.9500 . ?
C17B C18B 1.3900 . ?
C17B H17B 0.9500 . ?
C18B H18B 0.9500 . ?
N1 C19 1.346(10) . ?
N1 C23 1.352(10) . ?
C19 C20 1.368(11) . ?
C19 H19 0.9500 . ?
C20 C21 1.393(13) . ?
C20 H20 0.9500 . ?
C21 C22 1.370(12) . ?
C21 H21 0.9500 . ?
C22 C23 1.370(11) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
N2 C28 1.337(10) . ?
N2 C24 1.356(10) . ?
C24 C25 1.375(12) . ?
C24 H24 0.9500 . ?
C25 C26 1.363(13) . ?
C25 H25 0.9500 . ?
C26 C27 1.368(12) . ?
C26 H26 0.9500 . ?
C27 C28 1.376(11) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
N3 C33 1.305(11) . ?
N3 C29 1.363(11) . ?
C29 C30 1.382(12) . ?
C29 H29 0.9500 . ?
C30 C31 1.359(13) . ?
C30 H30 0.9500 . ?
C31 C32 1.384(14) . ?
C31 H31 0.9500 . ?
C32 C33 1.403(12) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
N4 C38 1.308(12) . ?
N4 C34 1.358(11) . ?
C34 C35 1.350(13) . ?
C34 H34 0.9500 . ?
C35 C36 1.367(14) . ?
C35 H35 0.9500 . ?
C36 C37 1.326(14) . ?
C36 H36 0.9500 . ?
C37 C38 1.380(13) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
N5 C39 1.339(11) . ?
N5 C43 1.344(10) . ?
C39 C40 1.380(12) . ?
C39 H39 0.9500 . ?
C40 C41 1.384(13) . ?
C40 H40 0.9500 . ?
C41 C42 1.357(13) . ?
C41 H41 0.9500 . ?
C42 C43 1.383(13) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
N6 C44 1.347(12) . ?
N6 C48 1.354(11) . ?
C44 C45 1.393(12) . ?
C44 H44 0.9500 . ?
C45 C46 1.354(14) . ?
C45 H45 0.9500 . ?
C46 C47 1.377(13) . ?
C46 H46 0.9500 . ?
C47 C48 1.397(12) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
N7 C53 1.335(10) . ?
N7 C49 1.346(11) . ?
C49 C50 1.379(12) . ?
C49 H49 0.9500 . ?
C50 C51 1.373(13) . ?
C50 H50 0.9500 . ?
C51 C52 1.367(13) . ?
C51 H51 0.9500 . ?
C52 C53 1.376(12) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
N8 C54 1.31(2) . ?
N8 C58 1.35(2) . ?
C54 C55 1.34(2) . ?
C54 H54 0.9500 . ?
C55 C56 1.37(2) . ?
C55 H55 0.9500 . ?
C56 C57 1.3870 . ?
C56 H56 0.9500 . ?
C57 C58 1.31(2) . ?
C57 H57 0.9500 . ?
C58 H58 0.9500 . ?
N9A C59A 1.3900 . ?
N9A C63A 1.3900 . ?
C59A C60A 1.3900 . ?
C59A H59A 0.9500 . ?
C60A C61A 1.3900 . ?
C60A H60A 0.9500 . ?
C61A C62A 1.3900 . ?
C61A H61A 0.9500 . ?
C62A C63A 1.3900 . ?
C62A H62A 0.9500 . ?
C63A H63A 0.9500 . ?
N9B C59B 1.3900 . ?
N9B C63B 1.3900 . ?
C59B C60B 1.3900 . ?
C59B H59B 0.9500 . ?
C60B C61B 1.3900 . ?
C60B H60B 0.9500 . ?
C61B C62B 1.3900 . ?
C61B H61B 0.9500 . ?
C62B C63B 1.3900 . ?
C62B H62B 0.9500 . ?
C63B H63B 0.9500 . ?
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
Te4 Hg1 Tm1 N1 84.6(3) . . . . ?
Te1 Hg1 Tm1 N1 178.0(3) . . . . ?
Te2 Hg1 Tm1 N1 12.4(3) . . . . ?
Te3 Hg1 Tm1 N1 -86.0(3) . . . . ?
Tm2 Hg1 Tm1 N1 -45.6(3) . . . . ?
Tm3 Hg1 Tm1 N1 -121.9(3) . . . . ?
Te4 Hg1 Tm1 N2 -111.7(2) . . . . ?
Te1 Hg1 Tm1 N2 -18.3(2) . . . . ?
Te2 Hg1 Tm1 N2 176.0(2) . . . . ?
Te3 Hg1 Tm1 N2 77.6(2) . . . . ?
Tm2 Hg1 Tm1 N2 118.1(2) . . . . ?
Tm3 Hg1 Tm1 N2 41.8(2) . . . . ?
Te4 Hg1 Tm1 Te1 -93.42(4) . . . . ?
Te2 Hg1 Tm1 Te1 -165.64(2) . . . . ?
Te3 Hg1 Tm1 Te1 95.97(2) . . . . ?
Tm2 Hg1 Tm1 Te1 136.396(18) . . . . ?
Tm3 Hg1 Tm1 Te1 60.102(16) . . . . ?
Te4 Hg1 Tm1 Te2 72.22(4) . . . . ?
Te1 Hg1 Tm1 Te2 165.64(2) . . . . ?
Te3 Hg1 Tm1 Te2 -98.39(2) . . . . ?
Tm2 Hg1 Tm1 Te2 -57.963(16) . . . . ?
Tm3 Hg1 Tm1 Te2 -134.258(18) . . . . ?
Te4 Hg1 Tm1 Te5 166.74(3) . . . . ?
Te1 Hg1 Tm1 Te5 -99.843(19) . . . . ?
Te2 Hg1 Tm1 Te5 94.52(2) . . . . ?
Te3 Hg1 Tm1 Te5 -3.872(19) . . . . ?
Tm2 Hg1 Tm1 Te5 36.554(13) . . . . ?
Tm3 Hg1 Tm1 Te5 -39.741(13) . . . . ?
Te4 Hg1 Tm1 Te6 -15.44(4) . . . . ?
Te1 Hg1 Tm1 Te6 77.98(2) . . . . ?
Te2 Hg1 Tm1 Te6 -87.66(2) . . . . ?
Te3 Hg1 Tm1 Te6 173.950(18) . . . . ?
Tm2 Hg1 Tm1 Te6 -145.624(16) . . . . ?
Tm3 Hg1 Tm1 Te6 138.081(16) . . . . ?
Te4 Hg1 Tm2 N3 -100.7(2) . . . . ?
Te1 Hg1 Tm2 N3 85.1(2) . . . . ?
Te2 Hg1 Tm2 N3 -9.4(2) . . . . ?
Te3 Hg1 Tm2 N3 179.4(2) . . . . ?
Tm1 Hg1 Tm2 N3 48.3(2) . . . . ?
Tm3 Hg1 Tm2 N3 121.7(2) . . . . ?
Te4 Hg1 Tm2 N4 -5.83(17) . . . . ?
Te1 Hg1 Tm2 N4 -179.97(17) . . . . ?
Te2 Hg1 Tm2 N4 85.54(17) . . . . ?
Te3 Hg1 Tm2 N4 -85.69(17) . . . . ?
Tm1 Hg1 Tm2 N4 143.24(17) . . . . ?
Tm3 Hg1 Tm2 N4 -143.40(17) . . . . ?
Te4 Hg1 Tm2 Te2 -91.37(3) . . . . ?
Te1 Hg1 Tm2 Te2 94.49(2) . . . . ?
Te3 Hg1 Tm2 Te2 -171.23(2) . . . . ?
Tm1 Hg1 Tm2 Te2 57.707(16) . . . . ?
Tm3 Hg1 Tm2 Te2 131.060(17) . . . . ?
Te4 Hg1 Tm2 Te3 79.86(2) . . . . ?
Te1 Hg1 Tm2 Te3 -94.28(2) . . . . ?
Te2 Hg1 Tm2 Te3 171.23(2) . . . . ?
Tm1 Hg1 Tm2 Te3 -131.065(17) . . . . ?
Tm3 Hg1 Tm2 Te3 -57.713(15) . . . . ?
Te4 Hg1 Tm2 Te5 174.43(2) . . . . ?
Te1 Hg1 Tm2 Te5 0.285(19) . . . . ?
Te2 Hg1 Tm2 Te5 -94.205(19) . . . . ?
Te3 Hg1 Tm2 Te5 94.567(19) . . . . ?
Tm1 Hg1 Tm2 Te5 -36.498(13) . . . . ?
Tm3 Hg1 Tm2 Te5 36.855(13) . . . . ?
Te4 Hg1 Tm2 Te7 81.94(3) . . . . ?
Te1 Hg1 Tm2 Te7 -92.21(3) . . . . ?
Te2 Hg1 Tm2 Te7 173.30(3) . . . . ?
Te3 Hg1 Tm2 Te7 2.08(3) . . . . ?
Tm1 Hg1 Tm2 Te7 -128.99(3) . . . . ?
Tm3 Hg1 Tm2 Te7 -55.64(3) . . . . ?
Te4 Hg1 Tm3 N7 120.6(2) . . . . ?
Te1 Hg1 Tm3 N7 21.7(2) . . . . ?
Te2 Hg1 Tm3 N7 -75.3(2) . . . . ?
Te3 Hg1 Tm3 N7 -174.2(2) . . . . ?
Tm2 Hg1 Tm3 N7 -115.3(2) . . . . ?
Tm1 Hg1 Tm3 N7 -37.8(2) . . . . ?
Te4 Hg1 Tm3 N6 22.53(19) . . . . ?
Te1 Hg1 Tm3 N6 -76.38(19) . . . . ?
Te2 Hg1 Tm3 N6 -173.38(19) . . . . ?
Te3 Hg1 Tm3 N6 87.75(19) . . . . ?
Tm2 Hg1 Tm3 N6 146.61(19) . . . . ?
Tm1 Hg1 Tm3 N6 -135.86(19) . . . . ?
Te4 Hg1 Tm3 N5 -71.0(3) . . . . ?
Te1 Hg1 Tm3 N5 -169.9(3) . . . . ?
Te2 Hg1 Tm3 N5 93.1(3) . . . . ?
Te3 Hg1 Tm3 N5 -5.7(3) . . . . ?
Tm2 Hg1 Tm3 N5 53.1(3) . . . . ?
Tm1 Hg1 Tm3 N5 130.7(3) . . . . ?
Te4 Hg1 Tm3 Te3 -65.22(3) . . . . ?
Te1 Hg1 Tm3 Te3 -164.13(2) . . . . ?
Te2 Hg1 Tm3 Te3 98.87(2) . . . . ?
Tm2 Hg1 Tm3 Te3 58.856(16) . . . . ?
Tm1 Hg1 Tm3 Te3 136.392(17) . . . . ?
Te4 Hg1 Tm3 Te5 -161.41(3) . . . . ?
Te1 Hg1 Tm3 Te5 99.680(19) . . . . ?
Te2 Hg1 Tm3 Te5 2.69(2) . . . . ?
Te3 Hg1 Tm3 Te5 -96.187(19) . . . . ?
Tm2 Hg1 Tm3 Te5 -37.330(14) . . . . ?
Tm1 Hg1 Tm3 Te5 40.206(14) . . . . ?
Te4 Hg1 Tm3 Te1 98.91(3) . . . . ?
Te2 Hg1 Tm3 Te1 -96.99(2) . . . . ?
Te3 Hg1 Tm3 Te1 164.13(2) . . . . ?
Tm2 Hg1 Tm3 Te1 -137.010(17) . . . . ?
Tm1 Hg1 Tm3 Te1 -59.474(15) . . . . ?
Te4 Hg1 Te1 Tm1 140.45(2) . . . . ?
Te2 Hg1 Te1 Tm1 12.026(19) . . . . ?
Te3 Hg1 Te1 Tm1 -102.460(18) . . . . ?
Tm2 Hg1 Te1 Tm1 -45.104(17) . . . . ?
Tm3 Hg1 Te1 Tm1 -89.279(15) . . . . ?
Te4 Hg1 Te1 Tm3 -130.27(2) . . . . ?
Te2 Hg1 Te1 Tm3 101.305(18) . . . . ?
Te3 Hg1 Te1 Tm3 -13.181(18) . . . . ?
Tm2 Hg1 Te1 Tm3 44.175(16) . . . . ?
Tm1 Hg1 Te1 Tm3 89.279(15) . . . . ?
N1 Tm1 Te1 Hg1 -175.7(6) . . . . ?
N2 Tm1 Te1 Hg1 167.04(16) . . . . ?
Te2 Tm1 Te1 Hg1 -11.227(18) . . . . ?
Te5 Tm1 Te1 Hg1 79.408(17) . . . . ?
Te6 Tm1 Te1 Hg1 -104.069(18) . . . . ?
N1 Tm1 Te1 Tm3 107.5(6) . . . . ?
N2 Tm1 Te1 Tm3 90.23(16) . . . . ?
Te2 Tm1 Te1 Tm3 -88.030(18) . . . . ?
Te5 Tm1 Te1 Tm3 2.604(18) . . . . ?
Te6 Tm1 Te1 Tm3 179.128(18) . . . . ?
Hg1 Tm1 Te1 Tm3 -76.804(16) . . . . ?
N7 Tm3 Te1 Hg1 -165.80(16) . . . . ?
N6 Tm3 Te1 Hg1 105.71(17) . . . . ?
N5 Tm3 Te1 Hg1 153.1(7) . . . . ?
Te3 Tm3 Te1 Hg1 12.473(17) . . . . ?
Te5 Tm3 Te1 Hg1 -79.805(17) . . . . ?
N7 Tm3 Te1 Tm1 -88.63(16) . . . . ?
N6 Tm3 Te1 Tm1 -177.12(17) . . . . ?
N5 Tm3 Te1 Tm1 -129.7(7) . . . . ?
Te3 Tm3 Te1 Tm1 89.646(18) . . . . ?
Te5 Tm3 Te1 Tm1 -2.632(18) . . . . ?
Hg1 Tm3 Te1 Tm1 77.173(15) . . . . ?
Te4 Hg1 Te2 Tm2 119.99(2) . . . . ?
Te1 Hg1 Te2 Tm2 -105.726(19) . . . . ?
Te3 Hg1 Te2 Tm2 7.473(18) . . . . ?
Tm1 Hg1 Te2 Tm2 -93.727(16) . . . . ?
Tm3 Hg1 Te2 Tm2 -48.861(16) . . . . ?
Te4 Hg1 Te2 Tm1 -146.29(2) . . . . ?
Te1 Hg1 Te2 Tm1 -12.000(19) . . . . ?
Te3 Hg1 Te2 Tm1 101.200(18) . . . . ?
Tm2 Hg1 Te2 Tm1 93.727(16) . . . . ?
Tm3 Hg1 Te2 Tm1 44.866(16) . . . . ?
N3 Tm2 Te2 Hg1 173.78(16) . . . . ?
N4 Tm2 Te2 Hg1 -93.18(17) . . . . ?
Te3 Tm2 Te2 Hg1 -7.008(17) . . . . ?
Te5 Tm2 Te2 Hg1 83.471(16) . . . . ?
Te7 Tm2 Te2 Hg1 -150.34(13) . . . . ?
N3 Tm2 Te2 Tm1 98.77(16) . . . . ?
N4 Tm2 Te2 Tm1 -168.19(17) . . . . ?
Te3 Tm2 Te2 Tm1 -82.011(18) . . . . ?
Te5 Tm2 Te2 Tm1 8.468(17) . . . . ?
Te7 Tm2 Te2 Tm1 134.65(13) . . . . ?
Hg1 Tm2 Te2 Tm1 -75.003(15) . . . . ?
N1 Tm1 Te2 Hg1 -172.97(17) . . . . ?
N2 Tm1 Te2 Hg1 -152.4(15) . . . . ?
Te1 Tm1 Te2 Hg1 11.060(18) . . . . ?
Te5 Tm1 Te2 Hg1 -82.871(16) . . . . ?
Te6 Tm1 Te2 Hg1 97.862(18) . . . . ?
N1 Tm1 Te2 Tm2 -98.57(17) . . . . ?
N2 Tm1 Te2 Tm2 -78.0(15) . . . . ?
Te1 Tm1 Te2 Tm2 85.459(18) . . . . ?
Te5 Tm1 Te2 Tm2 -8.472(17) . . . . ?
Te6 Tm1 Te2 Tm2 172.261(18) . . . . ?
Hg1 Tm1 Te2 Tm2 74.399(15) . . . . ?
Te4 Hg1 Te3 Tm3 142.159(19) . . . . ?
Te1 Hg1 Te3 Tm3 13.319(18) . . . . ?
Te2 Hg1 Te3 Tm3 -100.038(18) . . . . ?
Tm2 Hg1 Te3 Tm3 -92.591(15) . . . . ?
Tm1 Hg1 Te3 Tm3 -43.064(16) . . . . ?
Te4 Hg1 Te3 Tm2 -125.250(19) . . . . ?
Te1 Hg1 Te3 Tm2 105.910(18) . . . . ?
Te2 Hg1 Te3 Tm2 -7.447(18) . . . . ?
Tm1 Hg1 Te3 Tm2 49.527(16) . . . . ?
Tm3 Hg1 Te3 Tm2 92.591(15) . . . . ?
N7 Tm3 Te3 Hg1 158.3(9) . . . . ?
N6 Tm3 Te3 Hg1 -98.43(18) . . . . ?
N5 Tm3 Te3 Hg1 176.50(17) . . . . ?
Te5 Tm3 Te3 Hg1 82.130(16) . . . . ?
Te1 Tm3 Te3 Hg1 -12.184(17) . . . . ?
N7 Tm3 Te3 Tm2 84.2(9) . . . . ?
N6 Tm3 Te3 Tm2 -172.57(18) . . . . ?
N5 Tm3 Te3 Tm2 102.36(17) . . . . ?
Te5 Tm3 Te3 Tm2 7.991(18) . . . . ?
Te1 Tm3 Te3 Tm2 -86.323(18) . . . . ?
Hg1 Tm3 Te3 Tm2 -74.139(15) . . . . ?
N3 Tm2 Te3 Hg1 -177.7(10) . . . . ?
N4 Tm2 Te3 Hg1 93.07(18) . . . . ?
Te2 Tm2 Te3 Hg1 6.980(17) . . . . ?
Te5 Tm2 Te3 Hg1 -83.246(17) . . . . ?
Te7 Tm2 Te3 Hg1 -178.572(19) . . . . ?
N3 Tm2 Te3 Tm3 -102.3(10) . . . . ?
N4 Tm2 Te3 Tm3 168.41(18) . . . . ?
Te2 Tm2 Te3 Tm3 82.323(19) . . . . ?
Te5 Tm2 Te3 Tm3 -7.902(18) . . . . ?
Te7 Tm2 Te3 Tm3 -103.23(2) . . . . ?
Hg1 Tm2 Te3 Tm3 75.344(16) . . . . ?
Te1 Hg1 Te4 C1 -62.4(2) . . . . ?
Te2 Hg1 Te4 C1 63.8(2) . . . . ?
Te3 Hg1 Te4 C1 179.2(2) . . . . ?
Tm2 Hg1 Te4 C1 124.0(2) . . . . ?
Tm1 Hg1 Te4 C1 8.3(2) . . . . ?
Tm3 Hg1 Te4 C1 -132.4(2) . . . . ?
N7 Tm3 Te5 Tm1 93.20(17) . . . . ?
N6 Tm3 Te5 Tm1 88.9(19) . . . . ?
N5 Tm3 Te5 Tm1 171.62(17) . . . . ?
Te3 Tm3 Te5 Tm1 -97.006(18) . . . . ?
Te1 Tm3 Te5 Tm1 2.600(18) . . . . ?
Hg1 Tm3 Te5 Tm1 -46.203(14) . . . . ?
N7 Tm3 Te5 Tm2 -177.77(17) . . . . ?
N6 Tm3 Te5 Tm2 177.9(19) . . . . ?
N5 Tm3 Te5 Tm2 -99.34(17) . . . . ?
Te3 Tm3 Te5 Tm2 -7.971(18) . . . . ?
Te1 Tm3 Te5 Tm2 91.635(18) . . . . ?
Hg1 Tm3 Te5 Tm2 42.832(14) . . . . ?
N1 Tm1 Te5 Tm3 -167.96(16) . . . . ?
N2 Tm1 Te5 Tm3 -88.90(15) . . . . ?
Te1 Tm1 Te5 Tm3 -2.622(18) . . . . ?
Te2 Tm1 Te5 Tm3 96.818(17) . . . . ?
Te6 Tm1 Te5 Tm3 -95.3(3) . . . . ?
Hg1 Tm1 Te5 Tm3 46.282(13) . . . . ?
N1 Tm1 Te5 Tm2 103.62(16) . . . . ?
N2 Tm1 Te5 Tm2 -177.32(15) . . . . ?
Te1 Tm1 Te5 Tm2 -91.041(18) . . . . ?
Te2 Tm1 Te5 Tm2 8.399(17) . . . . ?
Te6 Tm1 Te5 Tm2 176.2(3) . . . . ?
Hg1 Tm1 Te5 Tm2 -42.137(13) . . . . ?
N3 Tm2 Te5 Tm3 178.18(17) . . . . ?
N4 Tm2 Te5 Tm3 -47(2) . . . . ?
Te2 Tm2 Te5 Tm3 -94.282(17) . . . . ?
Te3 Tm2 Te5 Tm3 7.898(18) . . . . ?
Te7 Tm2 Te5 Tm3 93.239(19) . . . . ?
Hg1 Tm2 Te5 Tm3 -43.317(14) . . . . ?
N3 Tm2 Te5 Tm1 -95.96(17) . . . . ?
N4 Tm2 Te5 Tm1 39(2) . . . . ?
Te2 Tm2 Te5 Tm1 -8.423(17) . . . . ?
Te3 Tm2 Te5 Tm1 93.757(18) . . . . ?
Te7 Tm2 Te5 Tm1 179.098(18) . . . . ?
Hg1 Tm2 Te5 Tm1 42.542(13) . . . . ?
N1 Tm1 Te6 C7 -29.4(3) . . . . ?
N2 Tm1 Te6 C7 -108.5(3) . . . . ?
Te1 Tm1 Te6 C7 164.9(2) . . . . ?
Te2 Tm1 Te6 C7 65.7(2) . . . . ?
Te5 Tm1 Te6 C7 -102.1(4) . . . . ?
Hg1 Tm1 Te6 C7 116.5(2) . . . . ?
N3 Tm2 Te7 C13B 0.3(3) . . . . ?
N4 Tm2 Te7 C13B -92.8(3) . . . . ?
Te2 Tm2 Te7 C13B -35.7(3) . . . . ?
Te3 Tm2 Te7 C13B -179.9(3) . . . . ?
Te5 Tm2 Te7 C13B 90.1(3) . . . . ?
Hg1 Tm2 Te7 C13B 178.5(3) . . . . ?
N3 Tm2 Te7 C13A 8.6(5) . . . . ?
N4 Tm2 Te7 C13A -84.5(5) . . . . ?
Te2 Tm2 Te7 C13A -27.4(4) . . . . ?
Te3 Tm2 Te7 C13A -171.5(4) . . . . ?
Te5 Tm2 Te7 C13A 98.5(4) . . . . ?
Hg1 Tm2 Te7 C13A -173.2(4) . . . . ?
Hg1 Te4 C1 C2 171.5(7) . . . . ?
Hg1 Te4 C1 C6 -11.8(7) . . . . ?
C6 C1 C2 C3 0.2(14) . . . . ?
Te4 C1 C2 C3 177.0(7) . . . . ?
C1 C2 C3 C4 -0.5(15) . . . . ?
C2 C3 C4 C5 0.2(15) . . . . ?
C3 C4 C5 C6 0.4(14) . . . . ?
C4 C5 C6 C1 -0.6(13) . . . . ?
C2 C1 C6 C5 0.3(13) . . . . ?
Te4 C1 C6 C5 -176.4(6) . . . . ?
Tm1 Te6 C7 C8 155.5(6) . . . . ?
Tm1 Te6 C7 C12 -25.9(7) . . . . ?
C12 C7 C8 C9 -2.8(13) . . . . ?
Te6 C7 C8 C9 175.9(7) . . . . ?
C7 C8 C9 C10 4.3(15) . . . . ?
C8 C9 C10 C11 -1.6(15) . . . . ?
C9 C10 C11 C12 -2.4(15) . . . . ?
C10 C11 C12 C7 3.9(14) . . . . ?
C8 C7 C12 C11 -1.3(13) . . . . ?
Te6 C7 C12 C11 -179.9(7) . . . . ?
C13B Te7 C13A C14A -65(4) . . . . ?
Tm2 Te7 C13A C14A -146.8(7) . . . . ?
C13B Te7 C13A C18A 115(4) . . . . ?
Tm2 Te7 C13A C18A 33.4(9) . . . . ?
C18A C13A C14A C15A 0.0 . . . . ?
Te7 C13A C14A C15A -179.8(11) . . . . ?
C13A C14A C15A C16A 0.0 . . . . ?
C14A C15A C16A C17A 0.0 . . . . ?
C15A C16A C17A C18A 0.0 . . . . ?
C16A C17A C18A C13A 0.0 . . . . ?
C14A C13A C18A C17A 0.0 . . . . ?
Te7 C13A C18A C17A 179.8(11) . . . . ?
C13A Te7 C13B C14B 155(5) . . . . ?
Tm2 Te7 C13B C14B -103.0(8) . . . . ?
C13A Te7 C13B C18B -33(4) . . . . ?
Tm2 Te7 C13B C18B 69.0(9) . . . . ?
C18B C13B C14B C15B 0.0 . . . . ?
Te7 C13B C14B C15B 172.0(11) . . . . ?
C13B C14B C15B C16B 0.0 . . . . ?
C14B C15B C16B C17B 0.0 . . . . ?
C15B C16B C17B C18B 0.0 . . . . ?
C16B C17B C18B C13B 0.0 . . . . ?
C14B C13B C18B C17B 0.0 . . . . ?
Te7 C13B C18B C17B -172.0(11) . . . . ?
N2 Tm1 N1 C19 52.2(6) . . . . ?
Te1 Tm1 N1 C19 34.7(11) . . . . ?
Te2 Tm1 N1 C19 -130.0(6) . . . . ?
Te5 Tm1 N1 C19 140.0(6) . . . . ?
Te6 Tm1 N1 C19 -36.7(6) . . . . ?
Hg1 Tm1 N1 C19 -139.6(5) . . . . ?
N2 Tm1 N1 C23 -138.5(6) . . . . ?
Te1 Tm1 N1 C23 -156.0(5) . . . . ?
Te2 Tm1 N1 C23 39.3(6) . . . . ?
Te5 Tm1 N1 C23 -50.7(6) . . . . ?
Te6 Tm1 N1 C23 132.6(6) . . . . ?
Hg1 Tm1 N1 C23 29.7(8) . . . . ?
C23 N1 C19 C20 -0.3(12) . . . . ?
Tm1 N1 C19 C20 169.3(6) . . . . ?
N1 C19 C20 C21 -0.4(13) . . . . ?
C19 C20 C21 C22 0.4(13) . . . . ?
C20 C21 C22 C23 0.2(13) . . . . ?
C19 N1 C23 C22 0.9(12) . . . . ?
Tm1 N1 C23 C22 -169.1(7) . . . . ?
C21 C22 C23 N1 -0.9(13) . . . . ?
N1 Tm1 N2 C28 -126.4(6) . . . . ?
Te1 Tm1 N2 C28 49.1(6) . . . . ?
Te2 Tm1 N2 C28 -147.3(12) . . . . ?
Te5 Tm1 N2 C28 143.1(6) . . . . ?
Te6 Tm1 N2 C28 -37.3(6) . . . . ?
Hg1 Tm1 N2 C28 63.0(7) . . . . ?
N1 Tm1 N2 C24 56.6(6) . . . . ?
Te1 Tm1 N2 C24 -127.9(6) . . . . ?
Te2 Tm1 N2 C24 35.8(19) . . . . ?
Te5 Tm1 N2 C24 -33.9(6) . . . . ?
Te6 Tm1 N2 C24 145.7(6) . . . . ?
Hg1 Tm1 N2 C24 -114.0(6) . . . . ?
C28 N2 C24 C25 0.0(13) . . . . ?
Tm1 N2 C24 C25 177.1(7) . . . . ?
N2 C24 C25 C26 -0.2(15) . . . . ?
C24 C25 C26 C27 -0.7(15) . . . . ?
C25 C26 C27 C28 1.8(14) . . . . ?
C24 N2 C28 C27 1.2(12) . . . . ?
Tm1 N2 C28 C27 -175.9(6) . . . . ?
C26 C27 C28 N2 -2.1(13) . . . . ?
N4 Tm2 N3 C33 -40.5(7) . . . . ?
Te2 Tm2 N3 C33 46.2(7) . . . . ?
Te3 Tm2 N3 C33 -129.3(9) . . . . ?
Te5 Tm2 N3 C33 136.3(7) . . . . ?
Te7 Tm2 N3 C33 -128.4(7) . . . . ?
Hg1 Tm2 N3 C33 53.5(8) . . . . ?
N4 Tm2 N3 C29 144.6(7) . . . . ?
Te2 Tm2 N3 C29 -128.7(7) . . . . ?
Te3 Tm2 N3 C29 55.8(14) . . . . ?
Te5 Tm2 N3 C29 -38.6(7) . . . . ?
Te7 Tm2 N3 C29 56.7(6) . . . . ?
Hg1 Tm2 N3 C29 -121.5(6) . . . . ?
C33 N3 C29 C30 -0.7(14) . . . . ?
Tm2 N3 C29 C30 174.4(7) . . . . ?
N3 C29 C30 C31 -0.5(14) . . . . ?
C29 C30 C31 C32 1.4(15) . . . . ?
C30 C31 C32 C33 -1.0(15) . . . . ?
C29 N3 C33 C32 1.1(14) . . . . ?
Tm2 N3 C33 C32 -174.0(7) . . . . ?
C31 C32 C33 N3 -0.3(15) . . . . ?
N3 Tm2 N4 C38 -59.0(8) . . . . ?
Te2 Tm2 N4 C38 -146.3(7) . . . . ?
Te3 Tm2 N4 C38 111.3(7) . . . . ?
Te5 Tm2 N4 C38 165.9(18) . . . . ?
Te7 Tm2 N4 C38 25.9(7) . . . . ?
Hg1 Tm2 N4 C38 162.6(7) . . . . ?
N3 Tm2 N4 C34 134.1(7) . . . . ?
Te2 Tm2 N4 C34 46.7(7) . . . . ?
Te3 Tm2 N4 C34 -55.7(7) . . . . ?
Te5 Tm2 N4 C34 -1(3) . . . . ?
Te7 Tm2 N4 C34 -141.1(7) . . . . ?
Hg1 Tm2 N4 C34 -4.4(7) . . . . ?
C38 N4 C34 C35 -2.0(14) . . . . ?
Tm2 N4 C34 C35 166.1(7) . . . . ?
N4 C34 C35 C36 1.7(15) . . . . ?
C34 C35 C36 C37 -0.6(15) . . . . ?
C35 C36 C37 C38 -0.1(16) . . . . ?
C34 N4 C38 C37 1.3(14) . . . . ?
Tm2 N4 C38 C37 -166.2(7) . . . . ?
C36 C37 C38 N4 -0.3(16) . . . . ?
N7 Tm3 N5 C39 125.8(7) . . . . ?
N6 Tm3 N5 C39 -144.6(7) . . . . ?
Te3 Tm3 N5 C39 -50.8(6) . . . . ?
Te5 Tm3 N5 C39 40.8(6) . . . . ?
Te1 Tm3 N5 C39 167.9(5) . . . . ?
Hg1 Tm3 N5 C39 -46.4(7) . . . . ?
N7 Tm3 N5 C43 -46.1(8) . . . . ?
N6 Tm3 N5 C43 43.5(8) . . . . ?
Te3 Tm3 N5 C43 137.3(8) . . . . ?
Te5 Tm3 N5 C43 -131.0(7) . . . . ?
Te1 Tm3 N5 C43 -4.0(13) . . . . ?
Hg1 Tm3 N5 C43 141.7(7) . . . . ?
C43 N5 C39 C40 -0.2(14) . . . . ?
Tm3 N5 C39 C40 -172.9(8) . . . . ?
N5 C39 C40 C41 1.2(16) . . . . ?
C39 C40 C41 C42 -2.2(17) . . . . ?
C40 C41 C42 C43 2.2(17) . . . . ?
C39 N5 C43 C42 0.2(14) . . . . ?
Tm3 N5 C43 C42 171.8(7) . . . . ?
C41 C42 C43 N5 -1.2(16) . . . . ?
N7 Tm3 N6 C44 123.7(6) . . . . ?
N5 Tm3 N6 C44 44.8(6) . . . . ?
Te3 Tm3 N6 C44 -46.1(6) . . . . ?
Te5 Tm3 N6 C44 128.0(17) . . . . ?
Te1 Tm3 N6 C44 -145.3(6) . . . . ?
Hg1 Tm3 N6 C44 -97.4(6) . . . . ?
N7 Tm3 N6 C48 -64.9(7) . . . . ?
N5 Tm3 N6 C48 -143.8(7) . . . . ?
Te3 Tm3 N6 C48 125.3(7) . . . . ?
Te5 Tm3 N6 C48 -61(2) . . . . ?
Te1 Tm3 N6 C48 26.1(7) . . . . ?
Hg1 Tm3 N6 C48 74.0(7) . . . . ?
C48 N6 C44 C45 -0.9(13) . . . . ?
Tm3 N6 C44 C45 171.4(7) . . . . ?
N6 C44 C45 C46 1.2(15) . . . . ?
C44 C45 C46 C47 -0.3(14) . . . . ?
C45 C46 C47 C48 -0.8(14) . . . . ?
C44 N6 C48 C47 -0.1(13) . . . . ?
Tm3 N6 C48 C47 -171.4(6) . . . . ?
C46 C47 C48 N6 1.0(14) . . . . ?
N6 Tm3 N7 C53 57.0(6) . . . . ?
N5 Tm3 N7 C53 142.2(7) . . . . ?
Te3 Tm3 N7 C53 160.8(6) . . . . ?
Te5 Tm3 N7 C53 -122.6(6) . . . . ?
Te1 Tm3 N7 C53 -28.6(6) . . . . ?
Hg1 Tm3 N7 C53 -45.0(7) . . . . ?
N6 Tm3 N7 C49 -126.1(7) . . . . ?
N5 Tm3 N7 C49 -40.9(7) . . . . ?
Te3 Tm3 N7 C49 -22.3(14) . . . . ?
Te5 Tm3 N7 C49 54.3(7) . . . . ?
Te1 Tm3 N7 C49 148.3(7) . . . . ?
Hg1 Tm3 N7 C49 131.9(6) . . . . ?
C53 N7 C49 C50 -0.3(13) . . . . ?
Tm3 N7 C49 C50 -177.3(7) . . . . ?
N7 C49 C50 C51 0.0(15) . . . . ?
C49 C50 C51 C52 -0.2(14) . . . . ?
C50 C51 C52 C53 0.6(14) . . . . ?
C49 N7 C53 C52 0.7(12) . . . . ?
Tm3 N7 C53 C52 177.8(6) . . . . ?
C51 C52 C53 N7 -0.9(14) . . . . ?
C58 N8 C54 C55 0(3) . . . . ?
N8 C54 C55 C56 -1(3) . . . . ?
C54 C55 C56 C57 -3(2) . . . . ?
C55 C56 C57 C58 8.6(13) . . . . ?
C56 C57 C58 N8 -11(3) . . . . ?
C54 N8 C58 C57 6(3) . . . . ?
C63A N9A C59A C60A 0.0 . . . . ?
N9A C59A C60A C61A 0.0 . . . . ?
C59A C60A C61A C62A 0.0 . . . . ?
C60A C61A C62A C63A 0.0 . . . . ?
C61A C62A C63A N9A 0.0 . . . . ?
C59A N9A C63A C62A 0.0 . . . . ?
C63B N9B C59B C60B 0.0 . . . . ?
N9B C59B C60B C61B 0.0 . . . . ?
C59B C60B C61B C62B 0.0 . . . . ?
C60B C61B C62B C63B 0.0 . . . . ?
C61B C62B C63B N9B 0.0 . . . . ?
C59B N9B C63B C62B 0.0 . . . . ?
