#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:02:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179228 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/48/4314825.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_4314825
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 Lu3 Hg, 2(C5 H5 N)'
_chemical_formula_sum            'C63 H60 Hg Lu3 N9 Te7'
_chemical_formula_weight         2561.90
_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                94.490(2)
_cell_angle_beta                 92.899(2)
_cell_angle_gamma                95.600(2)
_cell_formula_units_Z            2
_cell_length_a                   11.7950(13)
_cell_length_b                   13.0179(14)
_cell_length_c                   22.848(3)
_cell_measurement_reflns_used    6670
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      28.30
_cell_measurement_theta_min      2.39
_cell_volume                     3474.8(7)
_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 0.990
_diffrn_measured_fraction_theta_max 0.990
_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  0.0409
_diffrn_reflns_av_sigmaI/netI    0.0651
_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       30
_diffrn_reflns_limit_l_min       -30
_diffrn_reflns_number            36632
_diffrn_reflns_theta_full        28.32
_diffrn_reflns_theta_max         28.32
_diffrn_reflns_theta_min         1.74
_exptl_absorpt_coefficient_mu    9.351
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.593
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.449
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lathe
_exptl_crystal_F_000             2316
_exptl_crystal_size_max          0.13
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.03
_refine_diff_density_max         3.396
_refine_diff_density_min         -1.267
_refine_diff_density_rms         0.283
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.016
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     802
_refine_ls_number_reflns         17147
_refine_ls_number_restraints     1598
_refine_ls_restrained_S_all      0.981
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0504
_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)+(0.0560P)²+10.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1083
_refine_ls_wR_factor_ref         0.1194
_reflns_number_gt                12352
_reflns_number_total             17147
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9021189_si_001_3.cif
_cod_data_source_block           luteteo
_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               4314825
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 0.03626(3) 0.04216(3) 0.263501(17) 0.02610(9) Uani 1 1 d U . .
Lu1 Lu -0.20185(3) -0.01478(3) 0.352419(17) 0.01970(9) Uani 1 1 d U . .
Lu2 Lu -0.20048(3) -0.07004(3) 0.168549(17) 0.02201(9) Uani 1 1 d U A .
Lu3 Lu -0.00956(3) -0.23030(3) 0.282412(17) 0.01984(9) Uani 1 1 d U . .
Te1 Te 0.04166(5) -0.04883(4) 0.37147(3) 0.02130(12) Uani 1 1 d U . .
Te2 Te -0.18359(5) 0.11886(4) 0.25207(3) 0.02341(13) Uani 1 1 d U . .
Te3 Te 0.03973(5) -0.12719(4) 0.17375(3) 0.02288(13) Uani 1 1 d U . .
Te4 Te 0.20701(6) 0.18471(5) 0.23526(3) 0.03135(15) Uani 1 1 d U . .
Te5 Te -0.25638(5) -0.20263(4) 0.26719(3) 0.02073(12) Uani 1 1 d U . .
Te6 Te -0.15026(6) 0.16708(5) 0.44368(3) 0.02973(15) Uani 1 1 d U . .
Te7 Te -0.24489(7) -0.24537(6) 0.07173(3) 0.04047(18) Uani 1 1 d DU . .
C1 C 0.1960(9) 0.3052(7) 0.3022(4) 0.0318(18) Uani 1 1 d U . .
C2 C 0.2808(9) 0.3907(8) 0.3089(5) 0.038(2) Uani 1 1 d U . .
H2 H 0.3443 0.3913 0.2849 0.046 Uiso 1 1 calc R . .
C3 C 0.2733(10) 0.4713(8) 0.3488(5) 0.040(2) Uani 1 1 d U . .
H3 H 0.3318 0.5274 0.3527 0.048 Uiso 1 1 calc R . .
C4 C 0.1842(10) 0.4734(8) 0.3832(5) 0.042(2) Uani 1 1 d U . .
H4 H 0.1798 0.5311 0.4109 0.050 Uiso 1 1 calc R . .
C5 C 0.0975(10) 0.3905(8) 0.3783(5) 0.037(2) Uani 1 1 d U . .
H5 H 0.0349 0.3922 0.4028 0.044 Uiso 1 1 calc R . .
C6 C 0.1029(9) 0.3080(7) 0.3386(4) 0.0318(18) Uani 1 1 d U . .
H6 H 0.0441 0.2522 0.3354 0.038 Uiso 1 1 calc R . .
C7 C -0.2894(8) 0.2573(7) 0.4355(4) 0.0284(17) Uani 1 1 d U . .
C8 C -0.3141(9) 0.3209(8) 0.4842(5) 0.039(2) Uani 1 1 d U . .
H8 H -0.2728 0.3185 0.5207 0.047 Uiso 1 1 calc R . .
C9 C -0.4007(10) 0.3894(8) 0.4796(5) 0.042(2) Uani 1 1 d U . .
H9 H -0.4136 0.4366 0.5119 0.051 Uiso 1 1 calc R . .
C10 C -0.4642(10) 0.3855(8) 0.4283(5) 0.041(2) Uani 1 1 d U . .
H10 H -0.5232 0.4298 0.4251 0.050 Uiso 1 1 calc R . .
C11 C -0.4455(9) 0.3194(7) 0.3810(5) 0.0344(19) Uani 1 1 d U . .
H11 H -0.4932 0.3158 0.3460 0.041 Uiso 1 1 calc R . .
C12 C -0.3570(8) 0.2583(7) 0.3846(4) 0.0285(18) Uani 1 1 d U . .
H12 H -0.3419 0.2155 0.3508 0.034 Uiso 1 1 calc R . .
C13A C -0.4091(8) -0.2567(7) 0.0265(7) 0.050(2) Uani 0.50 1 d PGDU A 1
C14A C -0.4643(10) -0.3535(8) 0.0069(7) 0.056(3) Uani 0.50 1 d PGDU A 1
H14A H -0.4282 -0.4142 0.0129 0.067 Uiso 0.50 1 calc PR A 1
C15A C -0.5722(10) -0.3613(11) -0.0214(8) 0.062(3) Uani 0.50 1 d PGDU A 1
H15A H -0.6099 -0.4274 -0.0348 0.075 Uiso 0.50 1 calc PR A 1
C16A C -0.6250(9) -0.2723(13) -0.0302(8) 0.060(3) Uani 0.50 1 d PGDU A 1
H16A H -0.6988 -0.2777 -0.0496 0.072 Uiso 0.50 1 calc PR A 1
C17A C -0.5698(9) -0.1756(11) -0.0106(8) 0.052(3) Uani 0.50 1 d PGDU A 1
H17A H -0.6059 -0.1148 -0.0166 0.063 Uiso 0.50 1 calc PR A 1
C18A C -0.4619(9) -0.1678(8) 0.0177(8) 0.045(3) Uani 0.50 1 d PGDU A 1
H18A H -0.4241 -0.1017 0.0311 0.054 Uiso 0.50 1 calc PR A 1
C13B C -0.4169(7) -0.2654(10) 0.0371(7) 0.050(2) Uani 0.50 1 d PGDU A 2
C14B C -0.4914(8) -0.3448(10) 0.0548(7) 0.055(3) Uani 0.50 1 d PGDU A 2
H14B H -0.4633 -0.3954 0.0779 0.066 Uiso 0.50 1 calc PR A 2
C15B C -0.6072(8) -0.3504(12) 0.0386(8) 0.061(3) Uani 0.50 1 d PGDU A 2
H15B H -0.6582 -0.4047 0.0508 0.074 Uiso 0.50 1 calc PR A 2
C16B C -0.6485(7) -0.2765(13) 0.0048(8) 0.059(3) Uani 0.50 1 d PGDU A 2
H16B H -0.7276 -0.2802 -0.0063 0.071 Uiso 0.50 1 calc PR A 2
C17B C -0.5739(9) -0.1970(12) -0.0130(8) 0.054(3) Uani 0.50 1 d PGDU A 2
H17B H -0.6021 -0.1464 -0.0361 0.064 Uiso 0.50 1 calc PR A 2
C18B C -0.4581(8) -0.1914(11) 0.0032(7) 0.044(3) Uani 0.50 1 d PGDU A 2
H18B H -0.4072 -0.1371 -0.0089 0.053 Uiso 0.50 1 calc PR A 2
N1 N -0.4029(6) -0.0008(6) 0.3616(3) 0.0248(14) Uani 1 1 d U . .
C19 C -0.4488(8) 0.0228(7) 0.4143(4) 0.0281(17) Uani 1 1 d U . .
H19 H -0.4020 0.0239 0.4494 0.034 Uiso 1 1 calc R . .
C20 C -0.5581(8) 0.0447(7) 0.4183(5) 0.0305(18) Uani 1 1 d U . .
H20 H -0.5866 0.0609 0.4557 0.037 Uiso 1 1 calc R . .
C21 C -0.6295(8) 0.0437(7) 0.3671(4) 0.0293(18) Uani 1 1 d U . .
H21 H -0.7059 0.0603 0.3689 0.035 Uiso 1 1 calc R . .
C22 C -0.5843(8) 0.0175(7) 0.3139(5) 0.0305(18) Uani 1 1 d U . .
H22 H -0.6305 0.0135 0.2783 0.037 Uiso 1 1 calc R . .
C23 C -0.4725(8) -0.0026(7) 0.3128(4) 0.0281(17) Uani 1 1 d U . .
H23 H -0.4424 -0.0186 0.2757 0.034 Uiso 1 1 calc R . .
N2 N -0.2392(6) -0.1282(6) 0.4328(3) 0.0231(14) Uani 1 1 d U . .
C24 C -0.3205(8) -0.2082(8) 0.4262(5) 0.0323(19) Uani 1 1 d U . .
H24 H -0.3665 -0.2181 0.3905 0.039 Uiso 1 1 calc R . .
C25 C -0.3413(9) -0.2766(8) 0.4679(5) 0.038(2) Uani 1 1 d U . .
H25 H -0.3987 -0.3332 0.4605 0.045 Uiso 1 1 calc R . .
C26 C -0.2790(9) -0.2629(8) 0.5201(5) 0.0333(19) Uani 1 1 d U . .
H26 H -0.2931 -0.3088 0.5498 0.040 Uiso 1 1 calc R . .
C27 C -0.1941(8) -0.1800(7) 0.5291(4) 0.0272(17) Uani 1 1 d U . .
H27 H -0.1487 -0.1682 0.5650 0.033 Uiso 1 1 calc R . .
C28 C -0.1780(7) -0.1156(7) 0.4844(4) 0.0228(16) Uani 1 1 d U . .
H28 H -0.1202 -0.0590 0.4906 0.027 Uiso 1 1 calc R . .
N3 N -0.4018(6) -0.0484(6) 0.1513(3) 0.0271(15) Uani 1 1 d U . .
C29 C -0.4839(8) -0.1267(8) 0.1555(4) 0.0331(19) Uani 1 1 d U A .
H29 H -0.4617 -0.1932 0.1623 0.040 Uiso 1 1 calc R . .
C30 C -0.5972(9) -0.1147(9) 0.1505(5) 0.038(2) Uani 1 1 d U . .
H30 H -0.6525 -0.1721 0.1530 0.046 Uiso 1 1 calc R A .
C31 C -0.6307(9) -0.0191(9) 0.1419(5) 0.039(2) Uani 1 1 d U A .
H31 H -0.7094 -0.0090 0.1400 0.047 Uiso 1 1 calc R . .
C32 C -0.5498(9) 0.0623(8) 0.1358(5) 0.038(2) Uani 1 1 d U . .
H32 H -0.5707 0.1289 0.1283 0.046 Uiso 1 1 calc R A .
C33 C -0.4361(9) 0.0428(8) 0.1412(5) 0.0351(19) Uani 1 1 d U A .
H33 H -0.3794 0.0985 0.1374 0.042 Uiso 1 1 calc R . .
N4 N -0.1428(7) 0.0454(6) 0.0930(4) 0.0305(15) Uani 1 1 d U . .
C34 C -0.0552(9) 0.1185(8) 0.1050(5) 0.037(2) Uani 1 1 d U A .
H34 H -0.0276 0.1343 0.1448 0.045 Uiso 1 1 calc R . .
C35 C -0.0039(10) 0.1712(8) 0.0629(5) 0.042(2) Uani 1 1 d U . .
H35 H 0.0599 0.2207 0.0734 0.050 Uiso 1 1 calc R A .
C36 C -0.0437(10) 0.1531(9) 0.0058(5) 0.044(2) Uani 1 1 d U A .
H36 H -0.0087 0.1895 -0.0241 0.053 Uiso 1 1 calc R . .
C37 C -0.1336(10) 0.0825(9) -0.0071(5) 0.047(2) Uani 1 1 d U . .
H37 H -0.1632 0.0685 -0.0467 0.056 Uiso 1 1 calc R A .
C38 C -0.1841(10) 0.0296(9) 0.0368(5) 0.042(2) Uani 1 1 d U A .
H38 H -0.2491 -0.0189 0.0269 0.050 Uiso 1 1 calc R . .
N5 N -0.0296(7) -0.4006(6) 0.2276(4) 0.0295(15) Uani 1 1 d U . .
C39 C -0.0994(9) -0.4084(7) 0.1797(4) 0.0313(19) Uani 1 1 d U . .
H39 H -0.1296 -0.3477 0.1679 0.038 Uiso 1 1 calc R . .
C40 C -0.1305(10) -0.5026(8) 0.1456(5) 0.045(2) Uani 1 1 d U . .
H40 H -0.1803 -0.5058 0.1114 0.054 Uiso 1 1 calc R . .
C41 C -0.0861(11) -0.5910(9) 0.1635(5) 0.050(2) Uani 1 1 d U . .
H41 H -0.1045 -0.6559 0.1415 0.060 Uiso 1 1 calc R . .
C42 C -0.0160(10) -0.5830(8) 0.2132(5) 0.044(2) Uani 1 1 d U . .
H42 H 0.0140 -0.6423 0.2271 0.053 Uiso 1 1 calc R . .
C43 C 0.0105(9) -0.4861(8) 0.2429(5) 0.037(2) Uani 1 1 d U . .
H43 H 0.0613 -0.4810 0.2768 0.044 Uiso 1 1 calc R . .
N6 N 0.1899(7) -0.2623(6) 0.3007(4) 0.0297(15) Uani 1 1 d U . .
C44 C 0.2405(9) -0.3024(8) 0.2546(5) 0.040(2) Uani 1 1 d U . .
H44 H 0.1969 -0.3238 0.2189 0.048 Uiso 1 1 calc R . .
C45 C 0.3579(9) -0.3135(9) 0.2584(5) 0.042(2) Uani 1 1 d U . .
H45 H 0.3927 -0.3415 0.2250 0.051 Uiso 1 1 calc R . .
C46 C 0.4218(9) -0.2854(8) 0.3084(5) 0.041(2) Uani 1 1 d U . .
H46 H 0.5013 -0.2923 0.3105 0.049 Uiso 1 1 calc R . .
C47 C 0.3692(9) -0.2463(8) 0.3562(5) 0.038(2) Uani 1 1 d U . .
H47 H 0.4123 -0.2268 0.3923 0.045 Uiso 1 1 calc R . .
C48 C 0.2536(8) -0.2351(7) 0.3523(5) 0.0339(19) Uani 1 1 d U . .
H48 H 0.2181 -0.2082 0.3857 0.041 Uiso 1 1 calc R . .
N7 N -0.0628(6) -0.3415(6) 0.3596(3) 0.0236(14) Uani 1 1 d U . .
C49 C -0.1456(8) -0.4226(7) 0.3496(4) 0.0292(18) Uani 1 1 d U . .
H49 H -0.1811 -0.4362 0.3111 0.035 Uiso 1 1 calc R . .
C50 C -0.1798(9) -0.4849(8) 0.3918(5) 0.035(2) Uani 1 1 d U . .
H50 H -0.2367 -0.5416 0.3828 0.042 Uiso 1 1 calc R . .
C51 C -0.1296(9) -0.4641(8) 0.4489(5) 0.036(2) Uani 1 1 d U . .
H51 H -0.1516 -0.5058 0.4795 0.043 Uiso 1 1 calc R . .
C52 C -0.0494(9) -0.3834(8) 0.4589(5) 0.0339(19) Uani 1 1 d U . .
H52 H -0.0140 -0.3676 0.4972 0.041 Uiso 1 1 calc R . .
C53 C -0.0174(8) -0.3226(7) 0.4141(4) 0.0274(17) Uani 1 1 d U . .
H53 H 0.0390 -0.2655 0.4227 0.033 Uiso 1 1 calc R . .
N8 N 0.1973(18) 0.5876(16) 0.1305(9) 0.136(4) Uani 1 1 d U . .
C54 C 0.147(2) 0.6175(19) 0.0850(12) 0.133(5) Uani 1 1 d U . .
H54 H 0.1251 0.6860 0.0898 0.159 Uiso 1 1 calc R . .
C55 C 0.118(2) 0.5666(18) 0.0301(11) 0.128(4) Uani 1 1 d U . .
H55 H 0.0809 0.5978 -0.0008 0.154 Uiso 1 1 calc R . .
C56 C 0.147(2) 0.4669(18) 0.0242(11) 0.124(4) Uani 1 1 d U . .
H56 H 0.1302 0.4251 -0.0118 0.149 Uiso 1 1 calc R . .
C57 C 0.202(2) 0.4287(19) 0.0707(11) 0.125(4) Uani 1 1 d U . .
H57 H 0.2266 0.3614 0.0666 0.150 Uiso 1 1 calc R . .
C58 C 0.220(2) 0.4847(19) 0.1204(11) 0.130(4) Uani 1 1 d U . .
H58 H 0.2505 0.4527 0.1528 0.156 Uiso 1 1 calc R . .
N9A N 0.5597(16) 0.3152(11) 0.1561(8) 0.069(3) Uani 0.50 1 d PGU B 1
C59A C 0.5950(17) 0.3319(12) 0.2153(8) 0.065(3) Uani 0.50 1 d PGU B 1
H59A H 0.6086 0.2749 0.2373 0.078 Uiso 0.50 1 calc PR B 1
C60A C 0.6105(17) 0.4321(14) 0.2424(6) 0.066(3) Uani 0.50 1 d PGU B 1
H60A H 0.6347 0.4435 0.2829 0.079 Uiso 0.50 1 calc PR B 1
C61A C 0.5907(17) 0.5156(11) 0.2103(8) 0.065(3) Uani 0.50 1 d PGU B 1
H61A H 0.6013 0.5840 0.2288 0.078 Uiso 0.50 1 calc PR B 1
C62A C 0.5554(18) 0.4989(12) 0.1510(8) 0.068(3) Uani 0.50 1 d PGU B 1
H62A H 0.5418 0.5559 0.1290 0.082 Uiso 0.50 1 calc PR B 1
C63A C 0.5399(16) 0.3987(14) 0.1239(6) 0.069(3) Uani 0.50 1 d PGU B 1
H63A H 0.5157 0.3873 0.0835 0.083 Uiso 0.50 1 calc PR B 1
N9B N 0.6665(13) 0.4815(12) 0.2380(7) 0.063(3) Uani 0.50 1 d PGU C 2
C59B C 0.5929(16) 0.5263(10) 0.2004(8) 0.065(3) Uani 0.50 1 d PGU C 2
H59B H 0.6033 0.5986 0.1965 0.077 Uiso 0.50 1 calc PR C 2
C60B C 0.5039(15) 0.4652(13) 0.1686(8) 0.065(3) Uani 0.50 1 d PGU C 2
H60B H 0.4536 0.4958 0.1429 0.078 Uiso 0.50 1 calc PR C 2
C61B C 0.4886(14) 0.3593(13) 0.1743(8) 0.065(3) Uani 0.50 1 d PGU C 2
H61B H 0.4278 0.3175 0.1526 0.078 Uiso 0.50 1 calc PR C 2
C62B C 0.5622(16) 0.3145(9) 0.2119(9) 0.063(3) Uani 0.50 1 d PGU C 2
H62B H 0.5517 0.2421 0.2158 0.076 Uiso 0.50 1 calc PR C 2
C63B C 0.6511(14) 0.3756(13) 0.2437(8) 0.061(3) Uani 0.50 1 d PGU C 2
H63B H 0.7014 0.3450 0.2694 0.073 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'
Lu Lu -0.4720 5.8584 '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 122.13(2) . . ?
Te4 Hg1 Te2 111.58(2) . . ?
Te1 Hg1 Te2 105.68(2) . . ?
Te4 Hg1 Te3 103.58(2) . . ?
Te1 Hg1 Te3 105.55(2) . . ?
Te2 Hg1 Te3 107.38(2) . . ?
Te4 Hg1 Lu2 126.18(2) . . ?
Te1 Hg1 Lu2 111.436(18) . . ?
Te2 Hg1 Lu2 53.729(16) . . ?
Te3 Hg1 Lu2 54.052(15) . . ?
Te4 Hg1 Lu3 139.16(2) . . ?
Te1 Hg1 Lu3 53.858(15) . . ?
Te2 Hg1 Lu3 107.750(17) . . ?
Te3 Hg1 Lu3 53.095(15) . . ?
Lu2 Hg1 Lu3 71.105(11) . . ?
Te4 Hg1 Lu1 147.48(2) . . ?
Te1 Hg1 Lu1 53.316(15) . . ?
Te2 Hg1 Lu1 53.540(15) . . ?
Te3 Hg1 Lu1 108.517(17) . . ?
Lu2 Hg1 Lu1 71.863(14) . . ?
Lu3 Hg1 Lu1 68.643(10) . . ?
N1 Lu1 N2 79.9(2) . . ?
N1 Lu1 Te1 165.57(18) . . ?
N2 Lu1 Te1 86.55(17) . . ?
N1 Lu1 Te2 94.36(18) . . ?
N2 Lu1 Te2 173.88(17) . . ?
Te1 Lu1 Te2 99.350(19) . . ?
N1 Lu1 Te5 90.32(19) . . ?
N2 Lu1 Te5 87.99(18) . . ?
Te1 Lu1 Te5 94.126(19) . . ?
Te2 Lu1 Te5 89.97(2) . . ?
N1 Lu1 Te6 88.93(19) . . ?
N2 Lu1 Te6 88.86(18) . . ?
Te1 Lu1 Te6 85.88(2) . . ?
Te2 Lu1 Te6 93.14(2) . . ?
Te5 Lu1 Te6 176.85(2) . . ?
N1 Lu1 Hg1 144.58(18) . . ?
N2 Lu1 Hg1 134.73(17) . . ?
Te1 Lu1 Hg1 49.703(15) . . ?
Te2 Lu1 Hg1 50.697(14) . . ?
Te5 Lu1 Hg1 84.753(16) . . ?
Te6 Lu1 Hg1 97.617(18) . . ?
N3 Lu2 N4 92.8(3) . . ?
N3 Lu2 Te2 87.64(19) . . ?
N4 Lu2 Te2 86.8(2) . . ?
N3 Lu2 Te3 170.11(19) . . ?
N4 Lu2 Te3 87.14(19) . . ?
Te2 Lu2 Te3 102.23(2) . . ?
N3 Lu2 Te5 90.27(18) . . ?
N4 Lu2 Te5 175.6(2) . . ?
Te2 Lu2 Te5 90.12(2) . . ?
Te3 Lu2 Te5 90.375(18) . . ?
N3 Lu2 Te7 84.87(19) . . ?
N4 Lu2 Te7 88.1(2) . . ?
Te2 Lu2 Te7 170.76(2) . . ?
Te3 Lu2 Te7 85.24(2) . . ?
Te5 Lu2 Te7 95.32(2) . . ?
N3 Lu2 Hg1 138.43(19) . . ?
N4 Lu2 Hg1 90.3(2) . . ?
Te2 Lu2 Hg1 51.148(15) . . ?
Te3 Lu2 Hg1 51.447(16) . . ?
Te5 Lu2 Hg1 85.287(17) . . ?
Te7 Lu2 Hg1 136.67(2) . . ?
N7 Lu3 N5 79.1(3) . . ?
N7 Lu3 N6 89.3(3) . . ?
N5 Lu3 N6 84.9(3) . . ?
N7 Lu3 Te3 169.81(18) . . ?
N5 Lu3 Te3 91.10(19) . . ?
N6 Lu3 Te3 92.78(19) . . ?
N7 Lu3 Te5 86.34(17) . . ?
N5 Lu3 Te5 94.03(19) . . ?
N6 Lu3 Te5 175.60(18) . . ?
Te3 Lu3 Te5 91.515(19) . . ?
N7 Lu3 Te1 90.49(18) . . ?
N5 Lu3 Te1 166.31(18) . . ?
N6 Lu3 Te1 86.1(2) . . ?
Te3 Lu3 Te1 99.61(2) . . ?
Te5 Lu3 Te1 94.183(19) . . ?
N7 Lu3 Hg1 138.26(18) . . ?
N5 Lu3 Hg1 142.21(19) . . ?
N6 Lu3 Hg1 98.27(18) . . ?
Te3 Lu3 Hg1 51.232(14) . . ?
Te5 Lu3 Hg1 85.188(15) . . ?
Te1 Lu3 Hg1 49.630(14) . . ?
Hg1 Te1 Lu1 76.981(17) . . ?
Hg1 Te1 Lu3 76.512(19) . . ?
Lu1 Te1 Lu3 85.994(18) . . ?
Hg1 Te2 Lu2 75.123(18) . . ?
Hg1 Te2 Lu1 75.764(17) . . ?
Lu2 Te2 Lu1 89.72(2) . . ?
Hg1 Te3 Lu3 75.673(19) . . ?
Hg1 Te3 Lu2 74.501(17) . . ?
Lu3 Te3 Lu2 88.583(18) . . ?
C1 Te4 Hg1 100.7(3) . . ?
Lu3 Te5 Lu1 85.589(18) . . ?
Lu3 Te5 Lu2 88.355(18) . . ?
Lu1 Te5 Lu2 88.937(19) . . ?
C7 Te6 Lu1 105.6(3) . . ?
C13B Te7 C13A 7.8(6) . . ?
C13B Te7 Lu2 112.9(5) . . ?
C13A Te7 Lu2 115.0(4) . . ?
C6 C1 C2 117.4(10) . . ?
C6 C1 Te4 122.9(7) . . ?
C2 C1 Te4 119.6(8) . . ?
C3 C2 C1 121.2(11) . . ?
C3 C2 H2 119.4 . . ?
C1 C2 H2 119.4 . . ?
C4 C3 C2 121.0(11) . . ?
C4 C3 H3 119.5 . . ?
C2 C3 H3 119.5 . . ?
C3 C4 C5 120.1(11) . . ?
C3 C4 H4 120.0 . . ?
C5 C4 H4 120.0 . . ?
C6 C5 C4 120.3(11) . . ?
C6 C5 H5 119.8 . . ?
C4 C5 H5 119.8 . . ?
C5 C6 C1 120.0(10) . . ?
C5 C6 H6 120.0 . . ?
C1 C6 H6 120.0 . . ?
C12 C7 C8 117.4(9) . . ?
C12 C7 Te6 124.1(7) . . ?
C8 C7 Te6 118.5(8) . . ?
C7 C8 C9 120.7(11) . . ?
C7 C8 H8 119.7 . . ?
C9 C8 H8 119.7 . . ?
C10 C9 C8 118.5(11) . . ?
C10 C9 H9 120.8 . . ?
C8 C9 H9 120.8 . . ?
C9 C10 C11 121.7(11) . . ?
C9 C10 H10 119.2 . . ?
C11 C10 H10 119.2 . . ?
C10 C11 C12 119.5(11) . . ?
C10 C11 H11 120.3 . . ?
C12 C11 H11 120.3 . . ?
C11 C12 C7 122.1(10) . . ?
C11 C12 H12 119.0 . . ?
C7 C12 H12 119.0 . . ?
C14A C13A C18A 120.0 . . ?
C14A C13A Te7 119.8(3) . . ?
C18A C13A Te7 120.2(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 . . ?
C16A C17A C18A 120.0 . . ?
C16A C17A H17A 120.0 . . ?
C18A 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 119.5(3) . . ?
C18B C13B Te7 119.9(3) . . ?
C15B C14B C13B 120.0 . . ?
C15B C14B H14B 120.0 . . ?
C13B C14B H14B 120.0 . . ?
C14B C15B C16B 120.0 . . ?
C14B C15B H15B 120.0 . . ?
C16B 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 . . ?
C23 N1 C19 116.8(8) . . ?
C23 N1 Lu1 119.6(6) . . ?
C19 N1 Lu1 123.0(6) . . ?
C20 C19 N1 122.7(9) . . ?
C20 C19 H19 118.6 . . ?
N1 C19 H19 118.6 . . ?
C19 C20 C21 119.9(10) . . ?
C19 C20 H20 120.0 . . ?
C21 C20 H20 120.0 . . ?
C22 C21 C20 117.6(9) . . ?
C22 C21 H21 121.2 . . ?
C20 C21 H21 121.2 . . ?
C23 C22 C21 119.5(10) . . ?
C23 C22 H22 120.2 . . ?
C21 C22 H22 120.2 . . ?
N1 C23 C22 123.4(9) . . ?
N1 C23 H23 118.3 . . ?
C22 C23 H23 118.3 . . ?
C24 N2 C28 116.2(8) . . ?
C24 N2 Lu1 121.2(6) . . ?
C28 N2 Lu1 122.6(6) . . ?
N2 C24 C25 123.9(10) . . ?
N2 C24 H24 118.1 . . ?
C25 C24 H24 118.1 . . ?
C26 C25 C24 119.4(9) . . ?
C26 C25 H25 120.3 . . ?
C24 C25 H25 120.3 . . ?
C25 C26 C27 118.7(9) . . ?
C25 C26 H26 120.7 . . ?
C27 C26 H26 120.7 . . ?
C28 C27 C26 118.1(9) . . ?
C28 C27 H27 121.0 . . ?
C26 C27 H27 121.0 . . ?
N2 C28 C27 123.8(8) . . ?
N2 C28 H28 118.1 . . ?
C27 C28 H28 118.1 . . ?
C33 N3 C29 116.8(9) . . ?
C33 N3 Lu2 121.4(6) . . ?
C29 N3 Lu2 121.7(6) . . ?
N3 C29 C30 122.9(10) . . ?
N3 C29 H29 118.6 . . ?
C30 C29 H29 118.6 . . ?
C29 C30 C31 119.4(10) . . ?
C29 C30 H30 120.3 . . ?
C31 C30 H30 120.3 . . ?
C30 C31 C32 119.7(10) . . ?
C30 C31 H31 120.2 . . ?
C32 C31 H31 120.2 . . ?
C31 C32 C33 117.0(10) . . ?
C31 C32 H32 121.5 . . ?
C33 C32 H32 121.5 . . ?
N3 C33 C32 124.3(10) . . ?
N3 C33 H33 117.9 . . ?
C32 C33 H33 117.9 . . ?
C34 N4 C38 116.9(9) . . ?
C34 N4 Lu2 119.6(7) . . ?
C38 N4 Lu2 122.8(7) . . ?
N4 C34 C35 123.0(11) . . ?
N4 C34 H34 118.5 . . ?
C35 C34 H34 118.5 . . ?
C34 C35 C36 120.1(11) . . ?
C34 C35 H35 120.0 . . ?
C36 C35 H35 120.0 . . ?
C37 C36 C35 118.0(11) . . ?
C37 C36 H36 121.0 . . ?
C35 C36 H36 121.0 . . ?
C36 C37 C38 120.6(11) . . ?
C36 C37 H37 119.7 . . ?
C38 C37 H37 119.7 . . ?
N4 C38 C37 121.3(10) . . ?
N4 C38 H38 119.3 . . ?
C37 C38 H38 119.3 . . ?
C43 N5 C39 117.1(9) . . ?
C43 N5 Lu3 128.1(7) . . ?
C39 N5 Lu3 114.5(6) . . ?
N5 C39 C40 122.8(9) . . ?
N5 C39 H39 118.6 . . ?
C40 C39 H39 118.6 . . ?
C41 C40 C39 118.0(11) . . ?
C41 C40 H40 121.0 . . ?
C39 C40 H40 121.0 . . ?
C42 C41 C40 119.0(11) . . ?
C42 C41 H41 120.5 . . ?
C40 C41 H41 120.5 . . ?
C41 C42 C43 118.2(10) . . ?
C41 C42 H42 120.9 . . ?
C43 C42 H42 120.9 . . ?
N5 C43 C42 124.9(10) . . ?
N5 C43 H43 117.6 . . ?
C42 C43 H43 117.6 . . ?
C44 N6 C48 118.7(9) . . ?
C44 N6 Lu3 115.9(7) . . ?
C48 N6 Lu3 125.2(7) . . ?
N6 C44 C45 120.6(11) . . ?
N6 C44 H44 119.7 . . ?
C45 C44 H44 119.7 . . ?
C46 C45 C44 121.2(12) . . ?
C46 C45 H45 119.4 . . ?
C44 C45 H45 119.4 . . ?
C45 C46 C47 118.2(11) . . ?
C45 C46 H46 120.9 . . ?
C47 C46 H46 120.9 . . ?
C46 C47 C48 120.4(11) . . ?
C46 C47 H47 119.8 . . ?
C48 C47 H47 119.8 . . ?
N6 C48 C47 120.8(11) . . ?
N6 C48 H48 119.6 . . ?
C47 C48 H48 119.6 . . ?
C53 N7 C49 116.8(8) . . ?
C53 N7 Lu3 121.7(6) . . ?
C49 N7 Lu3 121.4(6) . . ?
C50 C49 N7 123.3(9) . . ?
C50 C49 H49 118.4 . . ?
N7 C49 H49 118.4 . . ?
C49 C50 C51 118.8(9) . . ?
C49 C50 H50 120.6 . . ?
C51 C50 H50 120.6 . . ?
C52 C51 C50 117.9(9) . . ?
C52 C51 H51 121.1 . . ?
C50 C51 H51 121.1 . . ?
C51 C52 C53 121.0(10) . . ?
C51 C52 H52 119.5 . . ?
C53 C52 H52 119.5 . . ?
N7 C53 C52 122.3(9) . . ?
N7 C53 H53 118.9 . . ?
C52 C53 H53 118.9 . . ?
C54 N8 C58 110(2) . . ?
N8 C54 C55 131(3) . . ?
N8 C54 H54 114.7 . . ?
C55 C54 H54 114.7 . . ?
C56 C55 C54 114(3) . . ?
C56 C55 H55 122.9 . . ?
C54 C55 H55 122.9 . . ?
C57 C56 C55 119(3) . . ?
C57 C56 H56 120.5 . . ?
C55 C56 H56 120.5 . . ?
C58 C57 C56 120(3) . . ?
C58 C57 H57 120.1 . . ?
C56 C57 H57 120.1 . . ?
C57 C58 N8 126(3) . . ?
C57 C58 H58 117.2 . . ?
N8 C58 H58 117.2 . . ?
C59A N9A C63A 120.0 . . ?
C60A C59A N9A 120.0 . . ?
C60A C59A H59A 120.0 . . ?
N9A C59A H59A 120.0 . . ?
C59A C60A C61A 120.0 . . ?
C59A C60A H60A 120.0 . . ?
C61A 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 . . ?
C60B C59B N9B 120.0 . . ?
C60B C59B H59B 120.0 . . ?
N9B C59B H59B 120.0 . . ?
C61B C60B C59B 120.0 . . ?
C61B C60B H60B 120.0 . . ?
C59B C60B H60B 120.0 . . ?
C60B C61B C62B 120.0 . . ?
C60B C61B H61B 120.0 . . ?
C62B 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 2.7396(7) . ?
Hg1 Te1 2.8194(7) . ?
Hg1 Te2 2.8752(7) . ?
Hg1 Te3 2.8958(8) . ?
Hg1 Lu2 3.5682(6) . ?
Hg1 Lu3 3.5985(6) . ?
Hg1 Lu1 3.6016(6) . ?
Lu1 N1 2.414(7) . ?
Lu1 N2 2.476(7) . ?
Lu1 Te1 2.9645(7) . ?
Lu1 Te2 2.9884(7) . ?
Lu1 Te5 3.0011(7) . ?
Lu1 Te6 3.0233(8) . ?
Lu2 N3 2.434(8) . ?
Lu2 N4 2.455(8) . ?
Lu2 Te2 2.9766(8) . ?
Lu2 Te3 2.9977(8) . ?
Lu2 Te5 3.0051(7) . ?
Lu2 Te7 3.0392(9) . ?
Lu3 N7 2.436(7) . ?
Lu3 N5 2.443(8) . ?
Lu3 N6 2.450(8) . ?
Lu3 Te3 2.9698(7) . ?
Lu3 Te5 2.9745(7) . ?
Lu3 Te1 2.9884(7) . ?
Te4 C1 2.121(10) . ?
Te6 C7 2.119(10) . ?
Te7 C13B 2.124(7) . ?
Te7 C13A 2.135(7) . ?
C1 C6 1.413(14) . ?
C1 C2 1.416(14) . ?
C2 C3 1.347(15) . ?
C2 H2 0.9500 . ?
C3 C4 1.345(16) . ?
C3 H3 0.9500 . ?
C4 C5 1.406(15) . ?
C4 H4 0.9500 . ?
C5 C6 1.358(14) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.379(13) . ?
C7 C8 1.393(14) . ?
C8 C9 1.425(15) . ?
C8 H8 0.9500 . ?
C9 C10 1.354(16) . ?
C9 H9 0.9500 . ?
C10 C11 1.369(15) . ?
C10 H10 0.9500 . ?
C11 C12 1.375(13) . ?
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 C23 1.347(12) . ?
N1 C19 1.370(12) . ?
C19 C20 1.354(13) . ?
C19 H19 0.9500 . ?
C20 C21 1.404(14) . ?
C20 H20 0.9500 . ?
C21 C22 1.383(13) . ?
C21 H21 0.9500 . ?
C22 C23 1.371(12) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
N2 C24 1.339(12) . ?
N2 C28 1.340(11) . ?
C24 C25 1.370(13) . ?
C24 H24 0.9500 . ?
C25 C26 1.357(14) . ?
C25 H25 0.9500 . ?
C26 C27 1.394(13) . ?
C26 H26 0.9500 . ?
C27 C28 1.381(12) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
N3 C33 1.324(12) . ?
N3 C29 1.348(12) . ?
C29 C30 1.361(14) . ?
C29 H29 0.9500 . ?
C30 C31 1.367(14) . ?
C30 H30 0.9500 . ?
C31 C32 1.375(15) . ?
C31 H31 0.9500 . ?
C32 C33 1.390(14) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
N4 C34 1.337(13) . ?
N4 C38 1.343(13) . ?
C34 C35 1.358(14) . ?
C34 H34 0.9500 . ?
C35 C36 1.359(16) . ?
C35 H35 0.9500 . ?
C36 C37 1.339(16) . ?
C36 H36 0.9500 . ?
C37 C38 1.387(15) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
N5 C43 1.316(11) . ?
N5 C39 1.327(12) . ?
C39 C40 1.407(14) . ?
C39 H39 0.9500 . ?
C40 C41 1.390(15) . ?
C40 H40 0.9500 . ?
C41 C42 1.361(15) . ?
C41 H41 0.9500 . ?
C42 C43 1.384(15) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
N6 C44 1.332(13) . ?
N6 C48 1.369(13) . ?
C44 C45 1.405(15) . ?
C44 H44 0.9500 . ?
C45 C46 1.340(16) . ?
C45 H45 0.9500 . ?
C46 C47 1.372(16) . ?
C46 H46 0.9500 . ?
C47 C48 1.384(14) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
N7 C53 1.324(12) . ?
N7 C49 1.364(11) . ?
C49 C50 1.361(13) . ?
C49 H49 0.9500 . ?
C50 C51 1.400(15) . ?
C50 H50 0.9500 . ?
C51 C52 1.340(14) . ?
C51 H51 0.9500 . ?
C52 C53 1.388(13) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
N8 C54 1.28(3) . ?
N8 C58 1.40(3) . ?
C54 C55 1.38(3) . ?
C54 H54 0.9500 . ?
C55 C56 1.38(3) . ?
C55 H55 0.9500 . ?
C56 C57 1.37(3) . ?
C56 H56 0.9500 . ?
C57 C58 1.30(3) . ?
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 Lu1 N1 83.2(3) . . . . ?
Te1 Hg1 Lu1 N1 176.9(3) . . . . ?
Te2 Hg1 Lu1 N1 11.1(3) . . . . ?
Te3 Hg1 Lu1 N1 -87.2(3) . . . . ?
Lu2 Hg1 Lu1 N1 -46.7(3) . . . . ?
Lu3 Hg1 Lu1 N1 -123.0(3) . . . . ?
Te4 Hg1 Lu1 N2 -111.8(3) . . . . ?
Te1 Hg1 Lu1 N2 -18.0(2) . . . . ?
Te2 Hg1 Lu1 N2 176.2(2) . . . . ?
Te3 Hg1 Lu1 N2 77.9(2) . . . . ?
Lu2 Hg1 Lu1 N2 118.3(2) . . . . ?
Lu3 Hg1 Lu1 N2 42.1(2) . . . . ?
Te4 Hg1 Lu1 Te1 -93.73(4) . . . . ?
Te2 Hg1 Lu1 Te1 -165.79(3) . . . . ?
Te3 Hg1 Lu1 Te1 95.92(2) . . . . ?
Lu2 Hg1 Lu1 Te1 136.35(2) . . . . ?
Lu3 Hg1 Lu1 Te1 60.106(17) . . . . ?
Te4 Hg1 Lu1 Te2 72.06(4) . . . . ?
Te1 Hg1 Lu1 Te2 165.79(3) . . . . ?
Te3 Hg1 Lu1 Te2 -98.29(2) . . . . ?
Lu2 Hg1 Lu1 Te2 -57.858(18) . . . . ?
Lu3 Hg1 Lu1 Te2 -134.10(2) . . . . ?
Te4 Hg1 Lu1 Te5 166.33(4) . . . . ?
Te1 Hg1 Lu1 Te5 -99.94(2) . . . . ?
Te2 Hg1 Lu1 Te5 94.27(2) . . . . ?
Te3 Hg1 Lu1 Te5 -4.02(2) . . . . ?
Lu2 Hg1 Lu1 Te5 36.410(14) . . . . ?
Lu3 Hg1 Lu1 Te5 -39.833(14) . . . . ?
Te4 Hg1 Lu1 Te6 -15.77(4) . . . . ?
Te1 Hg1 Lu1 Te6 77.97(2) . . . . ?
Te2 Hg1 Lu1 Te6 -87.83(2) . . . . ?
Te3 Hg1 Lu1 Te6 173.885(19) . . . . ?
Lu2 Hg1 Lu1 Te6 -145.683(16) . . . . ?
Lu3 Hg1 Lu1 Te6 138.073(17) . . . . ?
Te4 Hg1 Lu2 N3 -100.5(3) . . . . ?
Te1 Hg1 Lu2 N3 85.2(3) . . . . ?
Te2 Hg1 Lu2 N3 -8.9(3) . . . . ?
Te3 Hg1 Lu2 N3 179.3(3) . . . . ?
Lu3 Hg1 Lu2 N3 121.7(3) . . . . ?
Lu1 Hg1 Lu2 N3 48.8(3) . . . . ?
Te4 Hg1 Lu2 N4 -5.95(19) . . . . ?
Te1 Hg1 Lu2 N4 179.82(19) . . . . ?
Te2 Hg1 Lu2 N4 85.69(19) . . . . ?
Te3 Hg1 Lu2 N4 -86.10(19) . . . . ?
Lu3 Hg1 Lu2 N4 -143.71(19) . . . . ?
Lu1 Hg1 Lu2 N4 143.33(19) . . . . ?
Te4 Hg1 Lu2 Te2 -91.64(3) . . . . ?
Te1 Hg1 Lu2 Te2 94.13(2) . . . . ?
Te3 Hg1 Lu2 Te2 -171.79(2) . . . . ?
Lu3 Hg1 Lu2 Te2 130.605(18) . . . . ?
Lu1 Hg1 Lu2 Te2 57.638(16) . . . . ?
Te4 Hg1 Lu2 Te3 80.15(3) . . . . ?
Te1 Hg1 Lu2 Te3 -94.08(2) . . . . ?
Te2 Hg1 Lu2 Te3 171.79(2) . . . . ?
Lu3 Hg1 Lu2 Te3 -57.601(16) . . . . ?
Lu1 Hg1 Lu2 Te3 -130.568(17) . . . . ?
Te4 Hg1 Lu2 Te5 174.40(2) . . . . ?
Te1 Hg1 Lu2 Te5 0.17(2) . . . . ?
Te2 Hg1 Lu2 Te5 -93.96(2) . . . . ?
Te3 Hg1 Lu2 Te5 94.25(2) . . . . ?
Lu3 Hg1 Lu2 Te5 36.648(14) . . . . ?
Lu1 Hg1 Lu2 Te5 -36.319(14) . . . . ?
Te4 Hg1 Lu2 Te7 81.65(4) . . . . ?
Te1 Hg1 Lu2 Te7 -92.59(3) . . . . ?
Te2 Hg1 Lu2 Te7 173.29(3) . . . . ?
Te3 Hg1 Lu2 Te7 1.49(3) . . . . ?
Lu3 Hg1 Lu2 Te7 -56.11(3) . . . . ?
Lu1 Hg1 Lu2 Te7 -129.08(3) . . . . ?
Te4 Hg1 Lu3 N7 120.0(3) . . . . ?
Te1 Hg1 Lu3 N7 20.6(3) . . . . ?
Te2 Hg1 Lu3 N7 -76.1(3) . . . . ?
Te3 Hg1 Lu3 N7 -174.8(3) . . . . ?
Lu2 Hg1 Lu3 N7 -116.1(3) . . . . ?
Lu1 Hg1 Lu3 N7 -38.8(3) . . . . ?
Te4 Hg1 Lu3 N5 -70.6(3) . . . . ?
Te1 Hg1 Lu3 N5 -170.0(3) . . . . ?
Te2 Hg1 Lu3 N5 93.3(3) . . . . ?
Te3 Hg1 Lu3 N5 -5.5(3) . . . . ?
Lu2 Hg1 Lu3 N5 53.3(3) . . . . ?
Lu1 Hg1 Lu3 N5 130.6(3) . . . . ?
Te4 Hg1 Lu3 N6 21.7(2) . . . . ?
Te1 Hg1 Lu3 N6 -77.6(2) . . . . ?
Te2 Hg1 Lu3 N6 -174.4(2) . . . . ?
Te3 Hg1 Lu3 N6 86.9(2) . . . . ?
Lu2 Hg1 Lu3 N6 145.6(2) . . . . ?
Lu1 Hg1 Lu3 N6 -137.0(2) . . . . ?
Te4 Hg1 Lu3 Te3 -65.19(3) . . . . ?
Te1 Hg1 Lu3 Te3 -164.52(2) . . . . ?
Te2 Hg1 Lu3 Te3 98.73(2) . . . . ?
Lu2 Hg1 Lu3 Te3 58.739(18) . . . . ?
Lu1 Hg1 Lu3 Te3 136.063(19) . . . . ?
Te4 Hg1 Lu3 Te5 -161.02(3) . . . . ?
Te1 Hg1 Lu3 Te5 99.65(2) . . . . ?
Te2 Hg1 Lu3 Te5 2.90(2) . . . . ?
Te3 Hg1 Lu3 Te5 -95.83(2) . . . . ?
Lu2 Hg1 Lu3 Te5 -37.094(15) . . . . ?
Lu1 Hg1 Lu3 Te5 40.230(15) . . . . ?
Te4 Hg1 Lu3 Te1 99.33(4) . . . . ?
Te2 Hg1 Lu3 Te1 -96.75(2) . . . . ?
Te3 Hg1 Lu3 Te1 164.52(2) . . . . ?
Lu2 Hg1 Lu3 Te1 -136.745(19) . . . . ?
Lu1 Hg1 Lu3 Te1 -59.421(17) . . . . ?
Te4 Hg1 Te1 Lu1 140.69(2) . . . . ?
Te2 Hg1 Te1 Lu1 11.83(2) . . . . ?
Te3 Hg1 Te1 Lu1 -101.756(19) . . . . ?
Lu2 Hg1 Te1 Lu1 -44.806(19) . . . . ?
Lu3 Hg1 Te1 Lu1 -88.953(16) . . . . ?
Te4 Hg1 Te1 Lu3 -130.36(2) . . . . ?
Te2 Hg1 Te1 Lu3 100.78(2) . . . . ?
Te3 Hg1 Te1 Lu3 -12.80(2) . . . . ?
Lu2 Hg1 Te1 Lu3 44.147(18) . . . . ?
Lu1 Hg1 Te1 Lu3 88.953(16) . . . . ?
N1 Lu1 Te1 Hg1 -172.8(7) . . . . ?
N2 Lu1 Te1 Hg1 167.28(18) . . . . ?
Te2 Lu1 Te1 Hg1 -11.10(2) . . . . ?
Te5 Lu1 Te1 Hg1 79.549(19) . . . . ?
Te6 Lu1 Te1 Hg1 -103.61(2) . . . . ?
N1 Lu1 Te1 Lu3 110.1(7) . . . . ?
N2 Lu1 Te1 Lu3 90.22(18) . . . . ?
Te2 Lu1 Te1 Lu3 -88.17(2) . . . . ?
Te5 Lu1 Te1 Lu3 2.481(18) . . . . ?
Te6 Lu1 Te1 Lu3 179.319(18) . . . . ?
Hg1 Lu1 Te1 Lu3 -77.068(18) . . . . ?
N7 Lu3 Te1 Hg1 -166.43(17) . . . . ?
N5 Lu3 Te1 Hg1 153.2(8) . . . . ?
N6 Lu3 Te1 Hg1 104.34(18) . . . . ?
Te3 Lu3 Te1 Hg1 12.188(19) . . . . ?
Te5 Lu3 Te1 Hg1 -80.063(18) . . . . ?
N7 Lu3 Te1 Lu1 -88.87(17) . . . . ?
N5 Lu3 Te1 Lu1 -129.2(8) . . . . ?
N6 Lu3 Te1 Lu1 -178.10(18) . . . . ?
Te3 Lu3 Te1 Lu1 89.747(19) . . . . ?
Te5 Lu3 Te1 Lu1 -2.503(18) . . . . ?
Hg1 Lu3 Te1 Lu1 77.559(16) . . . . ?
Te4 Hg1 Te2 Lu2 119.81(2) . . . . ?
Te1 Hg1 Te2 Lu2 -105.36(2) . . . . ?
Te3 Hg1 Te2 Lu2 6.954(19) . . . . ?
Lu3 Hg1 Te2 Lu2 -48.957(17) . . . . ?
Lu1 Hg1 Te2 Lu2 -93.562(18) . . . . ?
Te4 Hg1 Te2 Lu1 -146.63(2) . . . . ?
Te1 Hg1 Te2 Lu1 -11.80(2) . . . . ?
Te3 Hg1 Te2 Lu1 100.52(2) . . . . ?
Lu2 Hg1 Te2 Lu1 93.562(18) . . . . ?
Lu3 Hg1 Te2 Lu1 44.605(18) . . . . ?
N3 Lu2 Te2 Hg1 174.11(18) . . . . ?
N4 Lu2 Te2 Hg1 -92.94(19) . . . . ?
Te3 Lu2 Te2 Hg1 -6.558(18) . . . . ?
Te5 Lu2 Te2 Hg1 83.850(18) . . . . ?
Te7 Lu2 Te2 Hg1 -150.02(14) . . . . ?
N3 Lu2 Te2 Lu1 98.78(18) . . . . ?
N4 Lu2 Te2 Lu1 -168.28(19) . . . . ?
Te3 Lu2 Te2 Lu1 -81.89(2) . . . . ?
Te5 Lu2 Te2 Lu1 8.514(19) . . . . ?
Te7 Lu2 Te2 Lu1 134.64(14) . . . . ?
Hg1 Lu2 Te2 Lu1 -75.336(16) . . . . ?
N1 Lu1 Te2 Hg1 -173.56(19) . . . . ?
N2 Lu1 Te2 Hg1 -153.7(16) . . . . ?
Te1 Lu1 Te2 Hg1 10.937(19) . . . . ?
Te5 Lu1 Te2 Hg1 -83.240(18) . . . . ?
Te6 Lu1 Te2 Hg1 97.27(2) . . . . ?
N1 Lu1 Te2 Lu2 -98.84(19) . . . . ?
N2 Lu1 Te2 Lu2 -79.0(16) . . . . ?
Te1 Lu1 Te2 Lu2 85.65(2) . . . . ?
Te5 Lu1 Te2 Lu2 -8.526(19) . . . . ?
Te6 Lu1 Te2 Lu2 171.987(19) . . . . ?
Hg1 Lu1 Te2 Lu2 74.714(17) . . . . ?
Te4 Hg1 Te3 Lu3 142.36(2) . . . . ?
Te1 Hg1 Te3 Lu3 12.93(2) . . . . ?
Te2 Hg1 Te3 Lu3 -99.466(19) . . . . ?
Lu2 Hg1 Te3 Lu3 -92.541(16) . . . . ?
Lu1 Hg1 Te3 Lu3 -42.961(17) . . . . ?
Te4 Hg1 Te3 Lu2 -125.10(2) . . . . ?
Te1 Hg1 Te3 Lu2 105.472(19) . . . . ?
Te2 Hg1 Te3 Lu2 -6.925(19) . . . . ?
Lu3 Hg1 Te3 Lu2 92.541(16) . . . . ?
Lu1 Hg1 Te3 Lu2 49.580(16) . . . . ?
N7 Lu3 Te3 Hg1 160.3(10) . . . . ?
N5 Lu3 Te3 Hg1 176.66(19) . . . . ?
N6 Lu3 Te3 Hg1 -98.4(2) . . . . ?
Te5 Lu3 Te3 Hg1 82.596(18) . . . . ?
Te1 Lu3 Te3 Hg1 -11.905(18) . . . . ?
N7 Lu3 Te3 Lu2 85.9(10) . . . . ?
N5 Lu3 Te3 Lu2 102.29(19) . . . . ?
N6 Lu3 Te3 Lu2 -172.7(2) . . . . ?
Te5 Lu3 Te3 Lu2 8.234(19) . . . . ?
Te1 Lu3 Te3 Lu2 -86.27(2) . . . . ?
Hg1 Lu3 Te3 Lu2 -74.362(16) . . . . ?
N3 Lu2 Te3 Hg1 -177.4(11) . . . . ?
N4 Lu2 Te3 Hg1 92.7(2) . . . . ?
Te2 Lu2 Te3 Hg1 6.530(18) . . . . ?
Te5 Lu2 Te3 Hg1 -83.669(19) . . . . ?
Te7 Lu2 Te3 Hg1 -178.97(2) . . . . ?
N3 Lu2 Te3 Lu3 -101.9(11) . . . . ?
N4 Lu2 Te3 Lu3 168.2(2) . . . . ?
Te2 Lu2 Te3 Lu3 82.05(2) . . . . ?
Te5 Lu2 Te3 Lu3 -8.147(19) . . . . ?
Te7 Lu2 Te3 Lu3 -103.45(2) . . . . ?
Hg1 Lu2 Te3 Lu3 75.522(18) . . . . ?
Te1 Hg1 Te4 C1 -62.2(3) . . . . ?
Te2 Hg1 Te4 C1 64.1(3) . . . . ?
Te3 Hg1 Te4 C1 179.3(3) . . . . ?
Lu2 Hg1 Te4 C1 124.1(3) . . . . ?
Lu3 Hg1 Te4 C1 -132.4(3) . . . . ?
Lu1 Hg1 Te4 C1 8.7(3) . . . . ?
N7 Lu3 Te5 Lu1 92.70(18) . . . . ?
N5 Lu3 Te5 Lu1 171.51(19) . . . . ?
N6 Lu3 Te5 Lu1 96(3) . . . . ?
Te3 Lu3 Te5 Lu1 -97.27(2) . . . . ?
Te1 Lu3 Te5 Lu1 2.474(17) . . . . ?
Hg1 Lu3 Te5 Lu1 -46.386(15) . . . . ?
N7 Lu3 Te5 Lu2 -178.24(18) . . . . ?
N5 Lu3 Te5 Lu2 -99.43(19) . . . . ?
N6 Lu3 Te5 Lu2 -175(3) . . . . ?
Te3 Lu3 Te5 Lu2 -8.214(19) . . . . ?
Te1 Lu3 Te5 Lu2 91.53(2) . . . . ?
Hg1 Lu3 Te5 Lu2 42.675(15) . . . . ?
N1 Lu1 Te5 Lu3 -168.76(18) . . . . ?
N2 Lu1 Te5 Lu3 -88.89(17) . . . . ?
Te1 Lu1 Te5 Lu3 -2.494(18) . . . . ?
Te2 Lu1 Te5 Lu3 96.878(18) . . . . ?
Te6 Lu1 Te5 Lu3 -92.5(4) . . . . ?
Hg1 Lu1 Te5 Lu3 46.375(14) . . . . ?
N1 Lu1 Te5 Lu2 102.81(18) . . . . ?
N2 Lu1 Te5 Lu2 -177.32(17) . . . . ?
Te1 Lu1 Te5 Lu2 -90.926(19) . . . . ?
Te2 Lu1 Te5 Lu2 8.445(18) . . . . ?
Te6 Lu1 Te5 Lu2 179(46) . . . . ?
Hg1 Lu1 Te5 Lu2 -42.058(14) . . . . ?
N3 Lu2 Te5 Lu3 178.26(19) . . . . ?
N4 Lu2 Te5 Lu3 -48(2) . . . . ?
Te2 Lu2 Te5 Lu3 -94.096(19) . . . . ?
Te3 Lu2 Te5 Lu3 8.135(19) . . . . ?
Te7 Lu2 Te5 Lu3 93.39(2) . . . . ?
Hg1 Lu2 Te5 Lu3 -43.117(16) . . . . ?
N3 Lu2 Te5 Lu1 -96.12(19) . . . . ?
N4 Lu2 Te5 Lu1 38(2) . . . . ?
Te2 Lu2 Te5 Lu1 -8.479(18) . . . . ?
Te3 Lu2 Te5 Lu1 93.751(19) . . . . ?
Te7 Lu2 Te5 Lu1 179.00(2) . . . . ?
Hg1 Lu2 Te5 Lu1 42.500(15) . . . . ?
N1 Lu1 Te6 C7 -28.7(3) . . . . ?
N2 Lu1 Te6 C7 -108.6(3) . . . . ?
Te1 Lu1 Te6 C7 164.8(3) . . . . ?
Te2 Lu1 Te6 C7 65.6(3) . . . . ?
Te5 Lu1 Te6 C7 -105.0(5) . . . . ?
Hg1 Lu1 Te6 C7 116.4(3) . . . . ?
N3 Lu2 Te7 C13B 0.0(3) . . . . ?
N4 Lu2 Te7 C13B -92.9(3) . . . . ?
Te2 Lu2 Te7 C13B -35.9(3) . . . . ?
Te3 Lu2 Te7 C13B 179.8(3) . . . . ?
Te5 Lu2 Te7 C13B 89.8(3) . . . . ?
Hg1 Lu2 Te7 C13B 178.6(3) . . . . ?
N3 Lu2 Te7 C13A 8.2(5) . . . . ?
N4 Lu2 Te7 C13A -84.7(5) . . . . ?
Te2 Lu2 Te7 C13A -27.8(5) . . . . ?
Te3 Lu2 Te7 C13A -172.0(5) . . . . ?
Te5 Lu2 Te7 C13A 98.0(5) . . . . ?
Hg1 Lu2 Te7 C13A -173.2(5) . . . . ?
Hg1 Te4 C1 C6 -12.7(8) . . . . ?
Hg1 Te4 C1 C2 171.6(7) . . . . ?
C6 C1 C2 C3 0.4(15) . . . . ?
Te4 C1 C2 C3 176.3(8) . . . . ?
C1 C2 C3 C4 -0.6(16) . . . . ?
C2 C3 C4 C5 0.5(16) . . . . ?
C3 C4 C5 C6 -0.2(16) . . . . ?
C4 C5 C6 C1 0.1(15) . . . . ?
C2 C1 C6 C5 -0.1(14) . . . . ?
Te4 C1 C6 C5 -175.9(7) . . . . ?
Lu1 Te6 C7 C12 -25.9(8) . . . . ?
Lu1 Te6 C7 C8 155.1(7) . . . . ?
C12 C7 C8 C9 -4.3(15) . . . . ?
Te6 C7 C8 C9 174.8(8) . . . . ?
C7 C8 C9 C10 5.0(16) . . . . ?
C8 C9 C10 C11 -1.3(17) . . . . ?
C9 C10 C11 C12 -2.8(17) . . . . ?
C10 C11 C12 C7 3.5(15) . . . . ?
C8 C7 C12 C11 0.1(14) . . . . ?
Te6 C7 C12 C11 -178.9(7) . . . . ?
C13B Te7 C13A C14A -69(4) . . . . ?
Lu2 Te7 C13A C14A -145.1(8) . . . . ?
C13B Te7 C13A C18A 109(5) . . . . ?
Lu2 Te7 C13A C18A 33.5(10) . . . . ?
C18A C13A C14A C15A 0.0 . . . . ?
Te7 C13A C14A C15A 178.6(12) . . . . ?
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 -178.6(12) . . . . ?
C13A Te7 C13B C14B 151(5) . . . . ?
Lu2 Te7 C13B C14B -101.5(9) . . . . ?
C13A Te7 C13B C18B -38(4) . . . . ?
Lu2 Te7 C13B C18B 70.0(9) . . . . ?
C18B C13B C14B C15B 0.0 . . . . ?
Te7 C13B C14B C15B 171.5(12) . . . . ?
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 -171.4(12) . . . . ?
N2 Lu1 N1 C23 -138.4(7) . . . . ?
Te1 Lu1 N1 C23 -158.6(6) . . . . ?
Te2 Lu1 N1 C23 39.5(7) . . . . ?
Te5 Lu1 N1 C23 -50.5(6) . . . . ?
Te6 Lu1 N1 C23 132.5(6) . . . . ?
Hg1 Lu1 N1 C23 30.8(8) . . . . ?
N2 Lu1 N1 C19 50.6(7) . . . . ?
Te1 Lu1 N1 C19 30.4(12) . . . . ?
Te2 Lu1 N1 C19 -131.5(6) . . . . ?
Te5 Lu1 N1 C19 138.5(6) . . . . ?
Te6 Lu1 N1 C19 -38.5(6) . . . . ?
Hg1 Lu1 N1 C19 -140.1(6) . . . . ?
C23 N1 C19 C20 -0.7(13) . . . . ?
Lu1 N1 C19 C20 170.5(7) . . . . ?
N1 C19 C20 C21 0.1(14) . . . . ?
C19 C20 C21 C22 1.4(14) . . . . ?
C20 C21 C22 C23 -2.2(14) . . . . ?
C19 N1 C23 C22 -0.2(13) . . . . ?
Lu1 N1 C23 C22 -171.7(7) . . . . ?
C21 C22 C23 N1 1.7(15) . . . . ?
N1 Lu1 N2 C24 55.4(7) . . . . ?
Te1 Lu1 N2 C24 -129.5(7) . . . . ?
Te2 Lu1 N2 C24 35(2) . . . . ?
Te5 Lu1 N2 C24 -35.3(7) . . . . ?
Te6 Lu1 N2 C24 144.5(7) . . . . ?
Hg1 Lu1 N2 C24 -115.9(7) . . . . ?
N1 Lu1 N2 C28 -126.6(7) . . . . ?
Te1 Lu1 N2 C28 48.4(6) . . . . ?
Te2 Lu1 N2 C28 -146.7(13) . . . . ?
Te5 Lu1 N2 C28 142.7(7) . . . . ?
Te6 Lu1 N2 C28 -37.5(6) . . . . ?
Hg1 Lu1 N2 C28 62.1(7) . . . . ?
C28 N2 C24 C25 -1.5(15) . . . . ?
Lu1 N2 C24 C25 176.6(8) . . . . ?
N2 C24 C25 C26 1.8(17) . . . . ?
C24 C25 C26 C27 -1.1(16) . . . . ?
C25 C26 C27 C28 0.3(15) . . . . ?
C24 N2 C28 C27 0.6(13) . . . . ?
Lu1 N2 C28 C27 -177.4(7) . . . . ?
C26 C27 C28 N2 -0.1(14) . . . . ?
N4 Lu2 N3 C33 -39.8(8) . . . . ?
Te2 Lu2 N3 C33 46.9(7) . . . . ?
Te3 Lu2 N3 C33 -129.3(10) . . . . ?
Te5 Lu2 N3 C33 137.0(7) . . . . ?
Te7 Lu2 N3 C33 -127.7(8) . . . . ?
Hg1 Lu2 N3 C33 53.8(9) . . . . ?
N4 Lu2 N3 C29 144.8(8) . . . . ?
Te2 Lu2 N3 C29 -128.5(8) . . . . ?
Te3 Lu2 N3 C29 55.3(15) . . . . ?
Te5 Lu2 N3 C29 -38.4(7) . . . . ?
Te7 Lu2 N3 C29 56.9(7) . . . . ?
Hg1 Lu2 N3 C29 -121.6(7) . . . . ?
C33 N3 C29 C30 -0.7(15) . . . . ?
Lu2 N3 C29 C30 174.9(8) . . . . ?
N3 C29 C30 C31 -1.2(17) . . . . ?
C29 C30 C31 C32 2.7(17) . . . . ?
C30 C31 C32 C33 -2.4(17) . . . . ?
C29 N3 C33 C32 1.1(16) . . . . ?
Lu2 N3 C33 C32 -174.5(8) . . . . ?
C31 C32 C33 N3 0.4(17) . . . . ?
N3 Lu2 N4 C34 133.5(8) . . . . ?
Te2 Lu2 N4 C34 46.1(8) . . . . ?
Te3 Lu2 N4 C34 -56.4(8) . . . . ?
Te5 Lu2 N4 C34 0(3) . . . . ?
Te7 Lu2 N4 C34 -141.7(8) . . . . ?
Hg1 Lu2 N4 C34 -5.0(8) . . . . ?
N3 Lu2 N4 C38 -56.5(8) . . . . ?
Te2 Lu2 N4 C38 -144.0(8) . . . . ?
Te3 Lu2 N4 C38 113.6(8) . . . . ?
Te5 Lu2 N4 C38 170(2) . . . . ?
Te7 Lu2 N4 C38 28.2(8) . . . . ?
Hg1 Lu2 N4 C38 164.9(8) . . . . ?
C38 N4 C34 C35 -4.0(16) . . . . ?
Lu2 N4 C34 C35 166.5(8) . . . . ?
N4 C34 C35 C36 2.3(18) . . . . ?
C34 C35 C36 C37 -0.1(18) . . . . ?
C35 C36 C37 C38 -0.1(19) . . . . ?
C34 N4 C38 C37 3.7(16) . . . . ?
Lu2 N4 C38 C37 -166.5(9) . . . . ?
C36 C37 C38 N4 -1.7(19) . . . . ?
N7 Lu3 N5 C43 -46.1(9) . . . . ?
N6 Lu3 N5 C43 44.1(9) . . . . ?
Te3 Lu3 N5 C43 136.8(9) . . . . ?
Te5 Lu3 N5 C43 -131.6(9) . . . . ?
Te1 Lu3 N5 C43 -4.9(15) . . . . ?
Hg1 Lu3 N5 C43 141.1(7) . . . . ?
N7 Lu3 N5 C39 126.4(7) . . . . ?
N6 Lu3 N5 C39 -143.4(7) . . . . ?
Te3 Lu3 N5 C39 -50.7(7) . . . . ?
Te5 Lu3 N5 C39 40.9(7) . . . . ?
Te1 Lu3 N5 C39 167.7(6) . . . . ?
Hg1 Lu3 N5 C39 -46.4(8) . . . . ?
C43 N5 C39 C40 -0.3(15) . . . . ?
Lu3 N5 C39 C40 -173.7(8) . . . . ?
N5 C39 C40 C41 0.3(17) . . . . ?
C39 C40 C41 C42 0.7(19) . . . . ?
C40 C41 C42 C43 -1.7(19) . . . . ?
C39 N5 C43 C42 -0.8(16) . . . . ?
Lu3 N5 C43 C42 171.5(8) . . . . ?
C41 C42 C43 N5 1.9(18) . . . . ?
N7 Lu3 N6 C44 122.6(7) . . . . ?
N5 Lu3 N6 C44 43.5(7) . . . . ?
Te3 Lu3 N6 C44 -47.4(7) . . . . ?
Te5 Lu3 N6 C44 120(3) . . . . ?
Te1 Lu3 N6 C44 -146.8(7) . . . . ?
Hg1 Lu3 N6 C44 -98.6(7) . . . . ?
N7 Lu3 N6 C48 -62.6(7) . . . . ?
N5 Lu3 N6 C48 -141.7(7) . . . . ?
Te3 Lu3 N6 C48 127.4(7) . . . . ?
Te5 Lu3 N6 C48 -66(3) . . . . ?
Te1 Lu3 N6 C48 27.9(7) . . . . ?
Hg1 Lu3 N6 C48 76.2(7) . . . . ?
C48 N6 C44 C45 -2.0(14) . . . . ?
Lu3 N6 C44 C45 173.1(7) . . . . ?
N6 C44 C45 C46 0.8(16) . . . . ?
C44 C45 C46 C47 0.7(16) . . . . ?
C45 C46 C47 C48 -1.0(15) . . . . ?
C44 N6 C48 C47 1.8(13) . . . . ?
Lu3 N6 C48 C47 -172.9(7) . . . . ?
C46 C47 C48 N6 -0.2(15) . . . . ?
N5 Lu3 N7 C53 142.3(7) . . . . ?
N6 Lu3 N7 C53 57.3(7) . . . . ?
Te3 Lu3 N7 C53 159.0(7) . . . . ?
Te5 Lu3 N7 C53 -122.9(7) . . . . ?
Te1 Lu3 N7 C53 -28.8(7) . . . . ?
Hg1 Lu3 N7 C53 -44.3(8) . . . . ?
N5 Lu3 N7 C49 -41.6(7) . . . . ?
N6 Lu3 N7 C49 -126.6(7) . . . . ?
Te3 Lu3 N7 C49 -24.9(15) . . . . ?
Te5 Lu3 N7 C49 53.2(7) . . . . ?
Te1 Lu3 N7 C49 147.4(7) . . . . ?
Hg1 Lu3 N7 C49 131.8(6) . . . . ?
C53 N7 C49 C50 -2.0(14) . . . . ?
Lu3 N7 C49 C50 -178.3(8) . . . . ?
N7 C49 C50 C51 1.3(16) . . . . ?
C49 C50 C51 C52 -0.3(16) . . . . ?
C50 C51 C52 C53 0.0(16) . . . . ?
C49 N7 C53 C52 1.7(14) . . . . ?
Lu3 N7 C53 C52 178.0(7) . . . . ?
C51 C52 C53 N7 -0.7(16) . . . . ?
C58 N8 C54 C55 -3(4) . . . . ?
N8 C54 C55 C56 1(4) . . . . ?
C54 C55 C56 C57 -1(4) . . . . ?
C55 C56 C57 C58 3(4) . . . . ?
C56 C57 C58 N8 -6(4) . . . . ?
C54 N8 C58 C57 6(4) . . . . ?
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 . . . . ?
