#------------------------------------------------------------------------------
#$Date: 2016-03-23 03:02:46 +0200 (Wed, 23 Mar 2016) $
#$Revision: 179228 $
#$URL: svn://www.crystallography.net/cod/cif/4/31/48/4314824.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_4314824
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 Er3 Hg, 2(C5 H5 N)'
_chemical_formula_sum            'C63 H60 Er3 Hg N9 Te7'
_chemical_formula_weight         2538.77
_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                94.460(1)
_cell_angle_beta                 93.397(1)
_cell_angle_gamma                95.581(1)
_cell_formula_units_Z            2
_cell_length_a                   11.8594(7)
_cell_length_b                   13.0332(8)
_cell_length_c                   22.9210(14)
_cell_measurement_reflns_used    7917
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.55
_cell_measurement_theta_min      2.40
_cell_volume                     3507.4(4)
_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 0.985
_diffrn_measured_fraction_theta_max 0.985
_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  0.0264
_diffrn_reflns_av_sigmaI/netI    0.0417
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       18
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       32
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            43307
_diffrn_reflns_theta_full        30.55
_diffrn_reflns_theta_max         30.55
_diffrn_reflns_theta_min         1.73
_exptl_absorpt_coefficient_mu    8.631
_exptl_absorpt_correction_T_max  0.999
_exptl_absorpt_correction_T_min  0.555
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Bruker SAINT (SADABS)'
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    2.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       lathe
_exptl_crystal_F_000             2298
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.07
_refine_diff_density_max         3.230
_refine_diff_density_min         -1.227
_refine_diff_density_rms         0.241
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     778
_refine_ls_number_reflns         21160
_refine_ls_number_restraints     1598
_refine_ls_restrained_S_all      0.986
_refine_ls_R_factor_all          0.0502
_refine_ls_R_factor_gt           0.0386
_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)+(0.0450P)²+12.0000P] where P=(Fo²+2Fc²)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0886
_refine_ls_wR_factor_ref         0.0938
_reflns_number_gt                17542
_reflns_number_total             21160
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic9021189_si_001_2.cif
_cod_data_source_block           er3hgte4
_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               4314824
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 0.030849(18) 0.041162(16) 0.263612(9) 0.02212(5) Uani 1 1 d U . .
Er1 Er -0.203581(19) -0.013734(17) 0.352410(10) 0.01694(5) Uani 1 1 d U . .
Er2 Er -0.20477(2) -0.070067(18) 0.167620(10) 0.01960(5) Uani 1 1 d U A .
Er3 Er -0.011865(19) -0.231174(17) 0.282061(10) 0.01695(5) Uani 1 1 d U . .
Te1 Te 0.04032(3) -0.04881(3) 0.371737(15) 0.01810(7) Uani 1 1 d U . .
Te2 Te -0.18704(3) 0.12010(3) 0.251513(15) 0.02037(7) Uani 1 1 d U . .
Te3 Te 0.03609(3) -0.12664(3) 0.173414(15) 0.01962(7) Uani 1 1 d U . .
Te4 Te 0.20097(3) 0.18355(3) 0.235983(18) 0.02690(8) Uani 1 1 d U . .
Te5 Te -0.25926(3) -0.20321(3) 0.266875(14) 0.01795(7) Uani 1 1 d U . .
Te6 Te -0.15245(3) 0.16928(3) 0.444879(17) 0.02664(8) Uani 1 1 d U . .
Te7 Te -0.25152(4) -0.24690(3) 0.070450(18) 0.03371(9) Uani 1 1 d DU . .
C1 C 0.1903(5) 0.3045(4) 0.3022(3) 0.0271(11) Uani 1 1 d U . .
C2 C 0.2739(6) 0.3892(5) 0.3080(3) 0.0341(12) Uani 1 1 d U . .
H2 H 0.3358 0.3905 0.2835 0.041 Uiso 1 1 calc R . .
C3 C 0.2663(6) 0.4707(5) 0.3495(3) 0.0405(14) Uani 1 1 d U . .
H3 H 0.3245 0.5267 0.3539 0.049 Uiso 1 1 calc R . .
C4 C 0.1769(7) 0.4723(5) 0.3842(3) 0.0385(14) Uani 1 1 d U . .
H4 H 0.1722 0.5297 0.4118 0.046 Uiso 1 1 calc R . .
C5 C 0.0941(6) 0.3908(5) 0.3790(3) 0.0349(13) Uani 1 1 d U . .
H5 H 0.0323 0.3916 0.4035 0.042 Uiso 1 1 calc R . .
C6 C 0.0994(6) 0.3069(5) 0.3383(3) 0.0308(12) Uani 1 1 d U . .
H6 H 0.0411 0.2510 0.3350 0.037 Uiso 1 1 calc R . .
C7 C -0.2927(5) 0.2591(4) 0.4362(3) 0.0240(10) Uani 1 1 d U . .
C8 C -0.3161(6) 0.3237(5) 0.4842(3) 0.0336(12) Uani 1 1 d U . .
H8 H -0.2731 0.3240 0.5205 0.040 Uiso 1 1 calc R . .
C9 C -0.4031(6) 0.3878(5) 0.4790(3) 0.0402(14) Uani 1 1 d U . .
H9 H -0.4165 0.4341 0.5113 0.048 Uiso 1 1 calc R . .
C10 C -0.4689(6) 0.3849(5) 0.4281(3) 0.0380(13) Uani 1 1 d U . .
H10 H -0.5286 0.4283 0.4252 0.046 Uiso 1 1 calc R . .
C11 C -0.4486(5) 0.3182(5) 0.3804(3) 0.0325(12) Uani 1 1 d U . .
H11 H -0.4959 0.3141 0.3452 0.039 Uiso 1 1 calc R . .
C12 C -0.3595(5) 0.2581(4) 0.3843(3) 0.0260(11) Uani 1 1 d U . .
H12 H -0.3436 0.2153 0.3510 0.031 Uiso 1 1 calc R . .
C13A C -0.4149(6) -0.2548(5) 0.0245(5) 0.0411(14) Uani 0.50 1 d PGDU A 1
C14A C -0.4689(7) -0.3504(6) 0.0020(5) 0.054(2) Uani 0.50 1 d PGDU A 1
H14A H -0.4334 -0.4116 0.0072 0.064 Uiso 0.50 1 calc PR A 1
C15A C -0.5750(7) -0.3564(7) -0.0280(5) 0.066(3) Uani 0.50 1 d PGDU A 1
H15A H -0.6119 -0.4217 -0.0433 0.079 Uiso 0.50 1 calc PR A 1
C16A C -0.6270(6) -0.2669(9) -0.0356(5) 0.061(3) Uani 0.50 1 d PGDU A 1
H16A H -0.6995 -0.2710 -0.0562 0.073 Uiso 0.50 1 calc PR A 1
C17A C -0.5730(7) -0.1713(7) -0.0132(5) 0.0498(15) Uani 0.50 1 d PGDU A 1
H17A H -0.6086 -0.1101 -0.0184 0.060 Uiso 0.50 1 calc PR A 1
C18A C -0.4670(7) -0.1653(6) 0.0169(5) 0.0387(14) Uani 0.50 1 d PGDU A 1
H18A H -0.4300 -0.1000 0.0322 0.046 Uiso 0.50 1 calc PR A 1
C13B C -0.4230(5) -0.2600(6) 0.0366(4) 0.0411(14) Uani 0.50 1 d PGDU A 2
C14B C -0.4967(6) -0.3433(6) 0.0498(5) 0.050(2) Uani 0.50 1 d PGDU A 2
H14B H -0.4686 -0.3967 0.0707 0.060 Uiso 0.50 1 calc PR A 2
C15B C -0.6115(5) -0.3486(8) 0.0324(5) 0.062(3) Uani 0.50 1 d PGDU A 2
H15B H -0.6619 -0.4056 0.0414 0.074 Uiso 0.50 1 calc PR A 2
C16B C -0.6527(5) -0.2705(9) 0.0018(5) 0.056(2) Uani 0.50 1 d PGDU A 2
H16B H -0.7312 -0.2741 -0.0101 0.067 Uiso 0.50 1 calc PR A 2
C17B C -0.5791(6) -0.1872(8) -0.0114(5) 0.0498(15) Uani 0.50 1 d PGDU A 2
H17B H -0.6072 -0.1338 -0.0323 0.060 Uiso 0.50 1 calc PR A 2
C18B C -0.4642(6) -0.1819(7) 0.0061(5) 0.0387(14) Uani 0.50 1 d PGDU A 2
H18B H -0.4139 -0.1249 -0.0029 0.046 Uiso 0.50 1 calc PR A 2
N1 N -0.4068(4) -0.0018(4) 0.3621(2) 0.0214(8) Uani 1 1 d U . .
C19 C -0.4509(5) 0.0227(4) 0.4137(3) 0.0253(10) Uani 1 1 d U . .
H19 H -0.4036 0.0241 0.4488 0.030 Uiso 1 1 calc R . .
C20 C -0.5614(5) 0.0458(5) 0.4180(3) 0.0283(11) Uani 1 1 d U . .
H20 H -0.5892 0.0628 0.4552 0.034 Uiso 1 1 calc R . .
C21 C -0.6303(5) 0.0437(5) 0.3675(3) 0.0294(11) Uani 1 1 d U . .
H21 H -0.7063 0.0604 0.3692 0.035 Uiso 1 1 calc R . .
C22 C -0.5880(5) 0.0171(5) 0.3141(3) 0.0311(12) Uani 1 1 d U . .
H22 H -0.6344 0.0146 0.2786 0.037 Uiso 1 1 calc R . .
C23 C -0.4773(5) -0.0055(5) 0.3133(3) 0.0268(11) Uani 1 1 d U . .
H23 H -0.4489 -0.0247 0.2766 0.032 Uiso 1 1 calc R . .
N2 N -0.2397(4) -0.1289(4) 0.4336(2) 0.0233(9) Uani 1 1 d U . .
C24 C -0.3190(5) -0.2099(5) 0.4261(3) 0.0284(11) Uani 1 1 d U . .
H24 H -0.3633 -0.2212 0.3898 0.034 Uiso 1 1 calc R . .
C25 C -0.3399(6) -0.2781(5) 0.4685(3) 0.0361(13) Uani 1 1 d U . .
H25 H -0.3982 -0.3338 0.4618 0.043 Uiso 1 1 calc R . .
C26 C -0.2745(6) -0.2634(5) 0.5205(3) 0.0320(12) Uani 1 1 d U . .
H26 H -0.2860 -0.3101 0.5499 0.038 Uiso 1 1 calc R . .
C27 C -0.1925(5) -0.1813(4) 0.5297(2) 0.0244(10) Uani 1 1 d U . .
H27 H -0.1469 -0.1696 0.5655 0.029 Uiso 1 1 calc R . .
C28 C -0.1777(5) -0.1152(4) 0.4851(2) 0.0209(9) Uani 1 1 d U . .
H28 H -0.1212 -0.0579 0.4915 0.025 Uiso 1 1 calc R . .
N3 N -0.4091(4) -0.0495(4) 0.1508(2) 0.0257(9) Uani 1 1 d U . .
C29 C -0.4896(5) -0.1283(5) 0.1548(3) 0.0295(11) Uani 1 1 d U A .
H29 H -0.4668 -0.1949 0.1603 0.035 Uiso 1 1 calc R . .
C30 C -0.6038(6) -0.1162(5) 0.1511(3) 0.0356(13) Uani 1 1 d U . .
H30 H -0.6585 -0.1733 0.1548 0.043 Uiso 1 1 calc R A .
C31 C -0.6378(6) -0.0201(5) 0.1419(3) 0.0369(13) Uani 1 1 d U A .
H31 H -0.7162 -0.0100 0.1389 0.044 Uiso 1 1 calc R . .
C32 C -0.5557(6) 0.0611(5) 0.1371(3) 0.0396(14) Uani 1 1 d U . .
H32 H -0.5764 0.1281 0.1306 0.047 Uiso 1 1 calc R A .
C33 C -0.4426(5) 0.0427(5) 0.1419(3) 0.0317(12) Uani 1 1 d U A .
H33 H -0.3863 0.0987 0.1388 0.038 Uiso 1 1 calc R . .
N4 N -0.1443(4) 0.0474(4) 0.0914(2) 0.0274(9) Uani 1 1 d U . .
C34 C -0.0579(6) 0.1206(5) 0.1051(3) 0.0318(12) Uani 1 1 d U A .
H34 H -0.0331 0.1365 0.1453 0.038 Uiso 1 1 calc R . .
C35 C -0.0029(6) 0.1741(5) 0.0636(3) 0.0390(14) Uani 1 1 d U . .
H35 H 0.0590 0.2249 0.0752 0.047 Uiso 1 1 calc R A .
C36 C -0.0380(6) 0.1535(5) 0.0057(3) 0.0379(14) Uani 1 1 d U A .
H36 H -0.0014 0.1895 -0.0236 0.046 Uiso 1 1 calc R . .
C37 C -0.1269(6) 0.0801(6) -0.0090(3) 0.0425(15) Uani 1 1 d U . .
H37 H -0.1538 0.0652 -0.0489 0.051 Uiso 1 1 calc R A .
C38 C -0.1779(6) 0.0272(5) 0.0339(3) 0.0356(13) Uani 1 1 d U A .
H38 H -0.2385 -0.0250 0.0226 0.043 Uiso 1 1 calc R . .
N5 N -0.0327(4) -0.4032(4) 0.2266(2) 0.0273(9) Uani 1 1 d U . .
C39 C -0.1038(6) -0.4118(5) 0.1785(3) 0.0303(12) Uani 1 1 d U . .
H39 H -0.1342 -0.3514 0.1665 0.036 Uiso 1 1 calc R . .
C40 C -0.1347(7) -0.5044(5) 0.1455(3) 0.0408(15) Uani 1 1 d U . .
H40 H -0.1840 -0.5070 0.1111 0.049 Uiso 1 1 calc R . .
C41 C -0.0932(7) -0.5931(5) 0.1631(3) 0.0484(17) Uani 1 1 d U . .
H41 H -0.1143 -0.6580 0.1414 0.058 Uiso 1 1 calc R . .
C42 C -0.0206(7) -0.5860(5) 0.2129(3) 0.0440(16) Uani 1 1 d U . .
H42 H 0.0095 -0.6458 0.2261 0.053 Uiso 1 1 calc R . .
C43 C 0.0075(6) -0.4907(5) 0.2431(3) 0.0337(13) Uani 1 1 d U . .
H43 H 0.0576 -0.4862 0.2774 0.040 Uiso 1 1 calc R . .
N6 N 0.1884(4) -0.2645(4) 0.3029(2) 0.0264(9) Uani 1 1 d U . .
C44 C 0.2393(6) -0.3035(5) 0.2561(3) 0.0355(13) Uani 1 1 d U . .
H44 H 0.1947 -0.3237 0.2205 0.043 Uiso 1 1 calc R . .
C45 C 0.3539(6) -0.3149(6) 0.2583(3) 0.0389(14) Uani 1 1 d U . .
H45 H 0.3868 -0.3433 0.2247 0.047 Uiso 1 1 calc R . .
C46 C 0.4199(5) -0.2854(5) 0.3089(3) 0.0376(13) Uani 1 1 d U . .
H46 H 0.4991 -0.2917 0.3107 0.045 Uiso 1 1 calc R . .
C47 C 0.3692(5) -0.2464(5) 0.3572(3) 0.0350(13) Uani 1 1 d U . .
H47 H 0.4127 -0.2270 0.3931 0.042 Uiso 1 1 calc R . .
C48 C 0.2538(5) -0.2359(4) 0.3526(3) 0.0303(12) Uani 1 1 d U . .
H48 H 0.2196 -0.2075 0.3858 0.036 Uiso 1 1 calc R . .
N7 N -0.0649(4) -0.3446(3) 0.3591(2) 0.0225(9) Uani 1 1 d U . .
C49 C -0.1471(5) -0.4254(4) 0.3492(3) 0.0272(11) Uani 1 1 d U . .
H49 H -0.1820 -0.4401 0.3107 0.033 Uiso 1 1 calc R . .
C50 C -0.1823(6) -0.4868(5) 0.3920(3) 0.0329(12) Uani 1 1 d U . .
H50 H -0.2401 -0.5426 0.3831 0.039 Uiso 1 1 calc R . .
C51 C -0.1327(6) -0.4666(5) 0.4480(3) 0.0349(13) Uani 1 1 d U . .
H51 H -0.1552 -0.5084 0.4783 0.042 Uiso 1 1 calc R . .
C52 C -0.0500(6) -0.3848(5) 0.4593(3) 0.0298(12) Uani 1 1 d U . .
H52 H -0.0142 -0.3693 0.4976 0.036 Uiso 1 1 calc R . .
C53 C -0.0193(5) -0.3252(4) 0.4142(2) 0.0252(10) Uani 1 1 d U . .
H53 H 0.0366 -0.2679 0.4228 0.030 Uiso 1 1 calc R . .
N8 N 0.1863(13) 0.5818(11) 0.1301(6) 0.129(3) Uani 1 1 d U . .
C54 C 0.1426(15) 0.6201(13) 0.0858(7) 0.122(3) Uani 1 1 d U . .
H54 H 0.1231 0.6891 0.0906 0.146 Uiso 1 1 calc R . .
C55 C 0.1224(14) 0.5689(12) 0.0326(7) 0.117(3) Uani 1 1 d U . .
H55 H 0.0940 0.6030 0.0005 0.140 Uiso 1 1 calc R . .
C56 C 0.1426(14) 0.4678(11) 0.0247(7) 0.110(3) Uani 1 1 d U . .
H56 H 0.1173 0.4262 -0.0104 0.132 Uiso 1 1 calc R . .
C57 C 0.2024(13) 0.4281(11) 0.0709(6) 0.108(3) Uani 1 1 d U . .
H57 H 0.2363 0.3653 0.0656 0.129 Uiso 1 1 calc R . .
C58 C 0.2092(14) 0.4821(12) 0.1218(7) 0.118(3) Uani 1 1 d U . .
H58 H 0.2320 0.4489 0.1554 0.141 Uiso 1 1 calc R . .
N9A N 0.5536(11) 0.3119(7) 0.1572(5) 0.0645(18) Uani 0.50 1 d PGU B 1
C59A C 0.5884(12) 0.3346(8) 0.2161(5) 0.063(2) Uani 0.50 1 d PGU B 1
H59A H 0.6018 0.2802 0.2402 0.076 Uiso 0.50 1 calc PR B 1
C60A C 0.6036(12) 0.4367(9) 0.2400(4) 0.066(2) Uani 0.50 1 d PGU B 1
H60A H 0.6274 0.4522 0.2803 0.080 Uiso 0.50 1 calc PR B 1
C61A C 0.5840(12) 0.5163(7) 0.2048(6) 0.061(2) Uani 0.50 1 d PGU B 1
H61A H 0.5943 0.5861 0.2211 0.073 Uiso 0.50 1 calc PR B 1
C62A C 0.5491(12) 0.4936(8) 0.1459(5) 0.0629(19) Uani 0.50 1 d PGU B 1
H62A H 0.5357 0.5480 0.1219 0.075 Uiso 0.50 1 calc PR B 1
C63A C 0.5340(11) 0.3915(9) 0.1220(4) 0.067(3) Uani 0.50 1 d PGU B 1
H63A H 0.5102 0.3760 0.0817 0.080 Uiso 0.50 1 calc PR B 1
N9B N 0.6639(9) 0.4800(8) 0.2367(5) 0.0645(18) Uani 0.50 1 d PGU C 2
C59B C 0.5887(11) 0.5260(6) 0.2007(6) 0.062(2) Uani 0.50 1 d PGU C 2
H59B H 0.6004 0.5981 0.1965 0.074 Uiso 0.50 1 calc PR C 2
C60B C 0.4964(10) 0.4665(9) 0.1708(5) 0.060(2) Uani 0.50 1 d PGU C 2
H60B H 0.4450 0.4980 0.1461 0.072 Uiso 0.50 1 calc PR C 2
C61B C 0.4793(9) 0.3610(8) 0.1770(5) 0.063(2) Uani 0.50 1 d PGU C 2
H61B H 0.4162 0.3203 0.1565 0.076 Uiso 0.50 1 calc PR C 2
C62B C 0.5545(10) 0.3150(6) 0.2130(6) 0.0629(19) Uani 0.50 1 d PGU C 2
H62B H 0.5428 0.2429 0.2172 0.075 Uiso 0.50 1 calc PR C 2
C63B C 0.6468(9) 0.3745(8) 0.2429(5) 0.056(2) Uani 0.50 1 d PGU C 2
H63B H 0.6982 0.3430 0.2676 0.068 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'
Er Er -0.2586 4.9576 '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 121.242(14) . . ?
Te4 Hg1 Te2 111.057(13) . . ?
Te1 Hg1 Te2 106.670(12) . . ?
Te4 Hg1 Te3 102.837(13) . . ?
Te1 Hg1 Te3 106.202(12) . . ?
Te2 Hg1 Te3 108.086(12) . . ?
Te4 Hg1 Er2 125.913(12) . . ?
Te1 Hg1 Er2 112.555(10) . . ?
Te2 Hg1 Er2 54.161(9) . . ?
Te3 Hg1 Er2 54.419(9) . . ?
Te4 Hg1 Er1 147.012(12) . . ?
Te1 Hg1 Er1 53.863(8) . . ?
Te2 Hg1 Er1 54.049(9) . . ?
Te3 Hg1 Er1 109.769(10) . . ?
Er2 Hg1 Er1 72.645(8) . . ?
Te4 Hg1 Er3 138.541(11) . . ?
Te1 Hg1 Er3 54.299(8) . . ?
Te2 Hg1 Er3 108.902(10) . . ?
Te3 Hg1 Er3 53.457(9) . . ?
Er2 Hg1 Er3 71.666(7) . . ?
Er1 Hg1 Er3 69.474(6) . . ?
N1 Er1 N2 79.28(15) . . ?
N1 Er1 Te1 164.89(10) . . ?
N2 Er1 Te1 86.29(11) . . ?
N1 Er1 Te2 95.04(10) . . ?
N2 Er1 Te2 173.88(11) . . ?
Te1 Er1 Te2 99.540(11) . . ?
N1 Er1 Te5 90.02(11) . . ?
N2 Er1 Te5 87.80(11) . . ?
Te1 Er1 Te5 93.908(11) . . ?
Te2 Er1 Te5 89.935(12) . . ?
N1 Er1 Te6 88.78(11) . . ?
N2 Er1 Te6 88.63(11) . . ?
Te1 Er1 Te6 86.401(11) . . ?
Te2 Er1 Te6 93.561(12) . . ?
Te5 Er1 Te6 176.391(12) . . ?
N1 Er1 Hg1 145.23(10) . . ?
N2 Er1 Hg1 134.48(11) . . ?
Te1 Er1 Hg1 49.826(8) . . ?
Te2 Er1 Hg1 50.805(8) . . ?
Te5 Er1 Hg1 84.386(9) . . ?
Te6 Er1 Hg1 98.521(11) . . ?
N3 Er2 N4 94.30(16) . . ?
N3 Er2 Te2 87.64(11) . . ?
N4 Er2 Te2 86.71(12) . . ?
N3 Er2 Te3 170.32(11) . . ?
N4 Er2 Te3 86.29(12) . . ?
Te2 Er2 Te3 102.042(12) . . ?
N3 Er2 Te5 89.67(11) . . ?
N4 Er2 Te5 174.75(12) . . ?
Te2 Er2 Te5 90.028(12) . . ?
Te3 Er2 Te5 90.378(11) . . ?
N3 Er2 Te7 84.68(11) . . ?
N4 Er2 Te7 88.53(12) . . ?
Te2 Er2 Te7 170.643(13) . . ?
Te3 Er2 Te7 85.669(12) . . ?
Te5 Er2 Te7 95.263(13) . . ?
N3 Er2 Hg1 138.22(11) . . ?
N4 Er2 Hg1 90.03(12) . . ?
Te2 Er2 Hg1 51.100(8) . . ?
Te3 Er2 Hg1 51.384(9) . . ?
Te5 Er2 Hg1 84.719(10) . . ?
Te7 Er2 Hg1 137.020(12) . . ?
N7 Er3 N5 78.71(16) . . ?
N7 Er3 N6 88.23(15) . . ?
N5 Er3 N6 85.20(17) . . ?
N7 Er3 Te3 169.53(11) . . ?
N5 Er3 Te3 91.27(11) . . ?
N6 Er3 Te3 94.02(11) . . ?
N7 Er3 Te5 86.13(11) . . ?
N5 Er3 Te5 94.10(12) . . ?
N6 Er3 Te5 174.35(11) . . ?
Te3 Er3 Te5 91.603(11) . . ?
N7 Er3 Te1 90.91(11) . . ?
N5 Er3 Te1 166.34(11) . . ?
N6 Er3 Te1 85.64(12) . . ?
Te3 Er3 Te1 99.457(12) . . ?
Te5 Er3 Te1 94.023(11) . . ?
N7 Er3 Hg1 138.47(11) . . ?
N5 Er3 Hg1 142.30(11) . . ?
N6 Er3 Hg1 99.29(11) . . ?
Te3 Er3 Hg1 51.203(8) . . ?
Te5 Er3 Hg1 84.704(9) . . ?
Te1 Er3 Hg1 49.629(8) . . ?
Hg1 Te1 Er1 76.311(10) . . ?
Hg1 Te1 Er3 76.072(11) . . ?
Er1 Te1 Er3 86.198(11) . . ?
Hg1 Te2 Er2 74.739(10) . . ?
Hg1 Te2 Er1 75.146(10) . . ?
Er2 Te2 Er1 89.835(12) . . ?
Hg1 Te3 Er3 75.340(11) . . ?
Hg1 Te3 Er2 74.197(10) . . ?
Er3 Te3 Er2 88.654(11) . . ?
C1 Te4 Hg1 100.86(17) . . ?
Er3 Te5 Er1 85.742(10) . . ?
Er3 Te5 Er2 88.293(10) . . ?
Er1 Te5 Er2 88.930(11) . . ?
C7 Te6 Er1 105.48(15) . . ?
C13B Te7 C13A 8.3(5) . . ?
C13B Te7 Er2 110.9(3) . . ?
C13A Te7 Er2 114.5(2) . . ?
C6 C1 C2 118.0(6) . . ?
C6 C1 Te4 122.8(4) . . ?
C2 C1 Te4 119.1(5) . . ?
C3 C2 C1 120.0(7) . . ?
C3 C2 H2 120.0 . . ?
C1 C2 H2 120.0 . . ?
C4 C3 C2 121.4(6) . . ?
C4 C3 H3 119.3 . . ?
C2 C3 H3 119.3 . . ?
C3 C4 C5 119.6(6) . . ?
C3 C4 H4 120.2 . . ?
C5 C4 H4 120.2 . . ?
C4 C5 C6 120.7(7) . . ?
C4 C5 H5 119.6 . . ?
C6 C5 H5 119.6 . . ?
C5 C6 C1 120.3(6) . . ?
C5 C6 H6 119.9 . . ?
C1 C6 H6 119.9 . . ?
C12 C7 C8 118.6(6) . . ?
C12 C7 Te6 122.9(4) . . ?
C8 C7 Te6 118.5(5) . . ?
C7 C8 C9 119.8(6) . . ?
C7 C8 H8 120.1 . . ?
C9 C8 H8 120.1 . . ?
C10 C9 C8 120.9(6) . . ?
C10 C9 H9 119.6 . . ?
C8 C9 H9 119.6 . . ?
C9 C10 C11 119.7(6) . . ?
C9 C10 H10 120.1 . . ?
C11 C10 H10 120.1 . . ?
C12 C11 C10 119.8(6) . . ?
C12 C11 H11 120.1 . . ?
C10 C11 H11 120.1 . . ?
C11 C12 C7 121.1(6) . . ?
C11 C12 H12 119.5 . . ?
C7 C12 H12 119.5 . . ?
C14A C13A C18A 120.0 . . ?
C14A C13A Te7 119.5(3) . . ?
C18A C13A Te7 120.5(3) . . ?
C15A C14A C13A 120.0 . . ?
C15A C14A H14A 120.0 . . ?
C13A C14A H14A 120.0 . . ?
C14A C15A C16A 120.0 . . ?
C14A C15A H15A 120.0 . . ?
C16A C15A H15A 120.0 . . ?
C17A C16A C15A 120.0 . . ?
C17A C16A H16A 120.0 . . ?
C15A 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 119.1(3) . . ?
C18B C13B Te7 120.6(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 116.8(5) . . ?
C19 N1 Er1 123.2(4) . . ?
C23 N1 Er1 119.4(4) . . ?
N1 C19 C20 123.2(5) . . ?
N1 C19 H19 118.4 . . ?
C20 C19 H19 118.4 . . ?
C21 C20 C19 118.7(5) . . ?
C21 C20 H20 120.7 . . ?
C19 C20 H20 120.7 . . ?
C20 C21 C22 119.4(5) . . ?
C20 C21 H21 120.3 . . ?
C22 C21 H21 120.3 . . ?
C23 C22 C21 118.5(6) . . ?
C23 C22 H22 120.7 . . ?
C21 C22 H22 120.7 . . ?
N1 C23 C22 123.4(5) . . ?
N1 C23 H23 118.3 . . ?
C22 C23 H23 118.3 . . ?
C24 N2 C28 117.1(5) . . ?
C24 N2 Er1 120.8(4) . . ?
C28 N2 Er1 122.1(4) . . ?
N2 C24 C25 123.3(6) . . ?
N2 C24 H24 118.4 . . ?
C25 C24 H24 118.4 . . ?
C26 C25 C24 118.6(6) . . ?
C26 C25 H25 120.7 . . ?
C24 C25 H25 120.7 . . ?
C27 C26 C25 119.7(6) . . ?
C27 C26 H26 120.2 . . ?
C25 C26 H26 120.2 . . ?
C26 C27 C28 118.3(5) . . ?
C26 C27 H27 120.8 . . ?
C28 C27 H27 120.8 . . ?
N2 C28 C27 123.0(5) . . ?
N2 C28 H28 118.5 . . ?
C27 C28 H28 118.5 . . ?
C33 N3 C29 117.8(5) . . ?
C33 N3 Er2 120.3(4) . . ?
C29 N3 Er2 121.7(4) . . ?
N3 C29 C30 122.6(6) . . ?
N3 C29 H29 118.7 . . ?
C30 C29 H29 118.7 . . ?
C29 C30 C31 119.1(6) . . ?
C29 C30 H30 120.5 . . ?
C31 C30 H30 120.5 . . ?
C30 C31 C32 118.7(6) . . ?
C30 C31 H31 120.6 . . ?
C32 C31 H31 120.6 . . ?
C31 C32 C33 118.6(6) . . ?
C31 C32 H32 120.7 . . ?
C33 C32 H32 120.7 . . ?
N3 C33 C32 123.2(6) . . ?
N3 C33 H33 118.4 . . ?
C32 C33 H33 118.4 . . ?
C34 N4 C38 116.9(5) . . ?
C34 N4 Er2 118.9(4) . . ?
C38 N4 Er2 122.7(4) . . ?
N4 C34 C35 123.0(6) . . ?
N4 C34 H34 118.5 . . ?
C35 C34 H34 118.5 . . ?
C36 C35 C34 119.5(7) . . ?
C36 C35 H35 120.2 . . ?
C34 C35 H35 120.2 . . ?
C37 C36 C35 118.3(6) . . ?
C37 C36 H36 120.9 . . ?
C35 C36 H36 120.9 . . ?
C36 C37 C38 120.2(7) . . ?
C36 C37 H37 119.9 . . ?
C38 C37 H37 119.9 . . ?
N4 C38 C37 122.1(7) . . ?
N4 C38 H38 119.0 . . ?
C37 C38 H38 119.0 . . ?
C39 N5 C43 117.2(5) . . ?
C39 N5 Er3 114.9(4) . . ?
C43 N5 Er3 127.4(4) . . ?
N5 C39 C40 122.9(6) . . ?
N5 C39 H39 118.5 . . ?
C40 C39 H39 118.5 . . ?
C39 C40 C41 119.2(6) . . ?
C39 C40 H40 120.4 . . ?
C41 C40 H40 120.4 . . ?
C42 C41 C40 118.8(7) . . ?
C42 C41 H41 120.6 . . ?
C40 C41 H41 120.6 . . ?
C43 C42 C41 118.7(6) . . ?
C43 C42 H42 120.7 . . ?
C41 C42 H42 120.7 . . ?
N5 C43 C42 123.2(6) . . ?
N5 C43 H43 118.4 . . ?
C42 C43 H43 118.4 . . ?
C48 N6 C44 117.6(5) . . ?
C48 N6 Er3 127.0(4) . . ?
C44 N6 Er3 114.8(4) . . ?
N6 C44 C45 122.2(6) . . ?
N6 C44 H44 118.9 . . ?
C45 C44 H44 118.9 . . ?
C46 C45 C44 120.0(7) . . ?
C46 C45 H45 120.0 . . ?
C44 C45 H45 120.0 . . ?
C45 C46 C47 118.6(6) . . ?
C45 C46 H46 120.7 . . ?
C47 C46 H46 120.7 . . ?
C46 C47 C48 119.2(6) . . ?
C46 C47 H47 120.4 . . ?
C48 C47 H47 120.4 . . ?
N6 C48 C47 122.4(6) . . ?
N6 C48 H48 118.8 . . ?
C47 C48 H48 118.8 . . ?
C53 N7 C49 116.4(5) . . ?
C53 N7 Er3 121.3(4) . . ?
C49 N7 Er3 122.1(4) . . ?
N7 C49 C50 123.4(6) . . ?
N7 C49 H49 118.3 . . ?
C50 C49 H49 118.3 . . ?
C49 C50 C51 119.1(6) . . ?
C49 C50 H50 120.5 . . ?
C51 C50 H50 120.5 . . ?
C50 C51 C52 118.8(5) . . ?
C50 C51 H51 120.6 . . ?
C52 C51 H51 120.6 . . ?
C51 C52 C53 119.2(6) . . ?
C51 C52 H52 120.4 . . ?
C53 C52 H52 120.4 . . ?
N7 C53 C52 123.1(5) . . ?
N7 C53 H53 118.4 . . ?
C52 C53 H53 118.4 . . ?
C54 N8 C58 116.2(15) . . ?
N8 C54 C55 123.9(16) . . ?
N8 C54 H54 118.1 . . ?
C55 C54 H54 118.1 . . ?
C54 C55 C56 119.8(17) . . ?
C54 C55 H55 120.1 . . ?
C56 C55 H55 120.1 . . ?
C55 C56 C57 116.7(15) . . ?
C55 C56 H56 121.6 . . ?
C57 C56 H56 121.6 . . ?
C58 C57 C56 116.6(15) . . ?
C58 C57 H57 121.7 . . ?
C56 C57 H57 121.7 . . ?
C57 C58 N8 124.8(17) . . ?
C57 C58 H58 117.6 . . ?
N8 C58 H58 117.6 . . ?
C59A N9A C63A 120.0 . . ?
N9A C59A C60A 120.0 . . ?
N9A C59A H59A 120.0 . . ?
C60A C59A H59A 120.0 . . ?
C59A C60A C61A 120.0 . . ?
C59A C60A H60A 120.0 . . ?
C61A C60A H60A 120.0 . . ?
C62A C61A C60A 120.0 . . ?
C62A C61A H61A 120.0 . . ?
C60A C61A H61A 120.0 . . ?
C61A C62A C63A 120.0 . . ?
C61A C62A H62A 120.0 . . ?
C63A 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 . . ?
C59B C60B C61B 120.0 . . ?
C59B C60B H60B 120.0 . . ?
C61B C60B H60B 120.0 . . ?
C62B C61B C60B 120.0 . . ?
C62B C61B H61B 120.0 . . ?
C60B C61B H61B 120.0 . . ?
C61B C62B C63B 120.0 . . ?
C61B C62B H62B 120.0 . . ?
C63B 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 2.7425(4) . ?
Hg1 Te1 2.8239(4) . ?
Hg1 Te2 2.8791(4) . ?
Hg1 Te3 2.8982(4) . ?
Hg1 Er2 3.5691(4) . ?
Hg1 Er1 3.5908(3) . ?
Hg1 Er3 3.5976(4) . ?
Er1 N1 2.452(4) . ?
Er1 N2 2.511(4) . ?
Er1 Te1 2.9848(4) . ?
Er1 Te2 3.0074(4) . ?
Er1 Te5 3.0256(4) . ?
Er1 Te6 3.0544(4) . ?
Er2 N3 2.474(5) . ?
Er2 N4 2.502(5) . ?
Er2 Te2 2.9991(4) . ?
Er2 Te3 3.0167(4) . ?
Er2 Te5 3.0289(4) . ?
Er2 Te7 3.0637(5) . ?
Er3 N7 2.461(4) . ?
Er3 N5 2.473(5) . ?
Er3 N6 2.481(5) . ?
Er3 Te3 2.9876(4) . ?
Er3 Te5 2.9948(4) . ?
Er3 Te1 3.0100(4) . ?
Te4 C1 2.119(6) . ?
Te6 C7 2.134(6) . ?
Te7 C13B 2.120(5) . ?
Te7 C13A 2.140(5) . ?
C1 C6 1.399(9) . ?
C1 C2 1.403(8) . ?
C2 C3 1.383(10) . ?
C2 H2 0.9500 . ?
C3 C4 1.363(11) . ?
C3 H3 0.9500 . ?
C4 C5 1.368(10) . ?
C4 H4 0.9500 . ?
C5 C6 1.389(9) . ?
C5 H5 0.9500 . ?
C6 H6 0.9500 . ?
C7 C12 1.388(8) . ?
C7 C8 1.391(8) . ?
C8 C9 1.395(9) . ?
C8 H8 0.9500 . ?
C9 C10 1.359(10) . ?
C9 H9 0.9500 . ?
C10 C11 1.391(9) . ?
C10 H10 0.9500 . ?
C11 C12 1.378(8) . ?
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 1.349(7) . ?
N1 C23 1.352(7) . ?
C19 C20 1.380(8) . ?
C19 H19 0.9500 . ?
C20 C21 1.376(9) . ?
C20 H20 0.9500 . ?
C21 C22 1.382(8) . ?
C21 H21 0.9500 . ?
C22 C23 1.373(8) . ?
C22 H22 0.9500 . ?
C23 H23 0.9500 . ?
N2 C24 1.338(7) . ?
N2 C28 1.344(7) . ?
C24 C25 1.384(8) . ?
C24 H24 0.9500 . ?
C25 C26 1.373(9) . ?
C25 H25 0.9500 . ?
C26 C27 1.369(8) . ?
C26 H26 0.9500 . ?
C27 C28 1.393(7) . ?
C27 H27 0.9500 . ?
C28 H28 0.9500 . ?
N3 C33 1.328(8) . ?
N3 C29 1.345(8) . ?
C29 C30 1.377(9) . ?
C29 H29 0.9500 . ?
C30 C31 1.380(9) . ?
C30 H30 0.9500 . ?
C31 C32 1.383(10) . ?
C31 H31 0.9500 . ?
C32 C33 1.385(9) . ?
C32 H32 0.9500 . ?
C33 H33 0.9500 . ?
N4 C34 1.335(8) . ?
N4 C38 1.354(8) . ?
C34 C35 1.381(8) . ?
C34 H34 0.9500 . ?
C35 C36 1.365(10) . ?
C35 H35 0.9500 . ?
C36 C37 1.360(10) . ?
C36 H36 0.9500 . ?
C37 C38 1.379(9) . ?
C37 H37 0.9500 . ?
C38 H38 0.9500 . ?
N5 C39 1.338(7) . ?
N5 C43 1.351(7) . ?
C39 C40 1.379(9) . ?
C39 H39 0.9500 . ?
C40 C41 1.380(9) . ?
C40 H40 0.9500 . ?
C41 C42 1.380(10) . ?
C41 H41 0.9500 . ?
C42 C43 1.376(9) . ?
C42 H42 0.9500 . ?
C43 H43 0.9500 . ?
N6 C48 1.346(8) . ?
N6 C44 1.349(8) . ?
C44 C45 1.380(9) . ?
C44 H44 0.9500 . ?
C45 C46 1.366(10) . ?
C45 H45 0.9500 . ?
C46 C47 1.377(10) . ?
C46 H46 0.9500 . ?
C47 C48 1.387(8) . ?
C47 H47 0.9500 . ?
C48 H48 0.9500 . ?
N7 C53 1.340(7) . ?
N7 C49 1.359(7) . ?
C49 C50 1.373(8) . ?
C49 H49 0.9500 . ?
C50 C51 1.373(9) . ?
C50 H50 0.9500 . ?
C51 C52 1.376(9) . ?
C51 H51 0.9500 . ?
C52 C53 1.385(7) . ?
C52 H52 0.9500 . ?
C53 H53 0.9500 . ?
N8 C54 1.273(18) . ?
N8 C58 1.355(18) . ?
C54 C55 1.341(19) . ?
C54 H54 0.9500 . ?
C55 C56 1.362(18) . ?
C55 H55 0.9500 . ?
C56 C57 1.40(2) . ?
C56 H56 0.9500 . ?
C57 C58 1.309(18) . ?
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 Er1 N1 85.03(19) . . . . ?
Te1 Hg1 Er1 N1 178.16(19) . . . . ?
Te2 Hg1 Er1 N1 12.62(19) . . . . ?
Te3 Hg1 Er1 N1 -85.83(19) . . . . ?
Er2 Hg1 Er1 N1 -45.30(19) . . . . ?
Er3 Hg1 Er1 N1 -121.71(19) . . . . ?
Te4 Hg1 Er1 N2 -111.73(15) . . . . ?
Te1 Hg1 Er1 N2 -18.60(15) . . . . ?
Te2 Hg1 Er1 N2 175.85(15) . . . . ?
Te3 Hg1 Er1 N2 77.41(15) . . . . ?
Er2 Hg1 Er1 N2 117.93(15) . . . . ?
Er3 Hg1 Er1 N2 41.52(15) . . . . ?
Te4 Hg1 Er1 Te1 -93.13(2) . . . . ?
Te2 Hg1 Er1 Te1 -165.546(14) . . . . ?
Te3 Hg1 Er1 Te1 96.009(13) . . . . ?
Er2 Hg1 Er1 Te1 136.536(11) . . . . ?
Er3 Hg1 Er1 Te1 60.121(10) . . . . ?
Te4 Hg1 Er1 Te2 72.42(2) . . . . ?
Te1 Hg1 Er1 Te2 165.546(14) . . . . ?
Te3 Hg1 Er1 Te2 -98.445(14) . . . . ?
Er2 Hg1 Er1 Te2 -57.918(11) . . . . ?
Er3 Hg1 Er1 Te2 -134.333(11) . . . . ?
Te4 Hg1 Er1 Te5 166.93(2) . . . . ?
Te1 Hg1 Er1 Te5 -99.941(12) . . . . ?
Te2 Hg1 Er1 Te5 94.513(13) . . . . ?
Te3 Hg1 Er1 Te5 -3.932(12) . . . . ?
Er2 Hg1 Er1 Te5 36.595(8) . . . . ?
Er3 Hg1 Er1 Te5 -39.819(8) . . . . ?
Te4 Hg1 Er1 Te6 -15.23(2) . . . . ?
Te1 Hg1 Er1 Te6 77.903(13) . . . . ?
Te2 Hg1 Er1 Te6 -87.643(13) . . . . ?
Te3 Hg1 Er1 Te6 173.912(11) . . . . ?
Er2 Hg1 Er1 Te6 -145.561(10) . . . . ?
Er3 Hg1 Er1 Te6 138.024(10) . . . . ?
Te4 Hg1 Er2 N3 -102.14(17) . . . . ?
Te1 Hg1 Er2 N3 84.01(17) . . . . ?
Te2 Hg1 Er2 N3 -10.76(17) . . . . ?
Te3 Hg1 Er2 N3 178.28(17) . . . . ?
Er1 Hg1 Er2 N3 47.03(17) . . . . ?
Er3 Hg1 Er2 N3 120.57(17) . . . . ?
Te4 Hg1 Er2 N4 -5.64(12) . . . . ?
Te1 Hg1 Er2 N4 -179.48(11) . . . . ?
Te2 Hg1 Er2 N4 85.75(11) . . . . ?
Te3 Hg1 Er2 N4 -85.22(11) . . . . ?
Er1 Hg1 Er2 N4 143.53(11) . . . . ?
Er3 Hg1 Er2 N4 -142.93(11) . . . . ?
Te4 Hg1 Er2 Te2 -91.384(16) . . . . ?
Te1 Hg1 Er2 Te2 94.771(14) . . . . ?
Te3 Hg1 Er2 Te2 -170.965(13) . . . . ?
Er1 Hg1 Er2 Te2 57.789(10) . . . . ?
Er3 Hg1 Er2 Te2 131.324(11) . . . . ?
Te4 Hg1 Er2 Te3 79.581(16) . . . . ?
Te1 Hg1 Er2 Te3 -94.263(13) . . . . ?
Te2 Hg1 Er2 Te3 170.965(13) . . . . ?
Er1 Hg1 Er2 Te3 -131.246(10) . . . . ?
Er3 Hg1 Er2 Te3 -57.711(10) . . . . ?
Te4 Hg1 Er2 Te5 174.302(14) . . . . ?
Te1 Hg1 Er2 Te5 0.457(12) . . . . ?
Te2 Hg1 Er2 Te5 -94.314(12) . . . . ?
Te3 Hg1 Er2 Te5 94.721(12) . . . . ?
Er1 Hg1 Er2 Te5 -36.525(8) . . . . ?
Er3 Hg1 Er2 Te5 37.010(8) . . . . ?
Te4 Hg1 Er2 Te7 82.24(2) . . . . ?
Te1 Hg1 Er2 Te7 -91.602(19) . . . . ?
Te2 Hg1 Er2 Te7 173.626(19) . . . . ?
Te3 Hg1 Er2 Te7 2.661(17) . . . . ?
Er1 Hg1 Er2 Te7 -128.584(17) . . . . ?
Er3 Hg1 Er2 Te7 -55.050(17) . . . . ?
Te4 Hg1 Er3 N7 120.50(17) . . . . ?
Te1 Hg1 Er3 N7 21.80(17) . . . . ?
Te2 Hg1 Er3 N7 -75.52(17) . . . . ?
Te3 Hg1 Er3 N7 -174.41(17) . . . . ?
Er2 Hg1 Er3 N7 -115.57(17) . . . . ?
Er1 Hg1 Er3 N7 -37.78(17) . . . . ?
Te4 Hg1 Er3 N5 -71.6(2) . . . . ?
Te1 Hg1 Er3 N5 -170.3(2) . . . . ?
Te2 Hg1 Er3 N5 92.4(2) . . . . ?
Te3 Hg1 Er3 N5 -6.49(19) . . . . ?
Er2 Hg1 Er3 N5 52.35(19) . . . . ?
Er1 Hg1 Er3 N5 130.15(19) . . . . ?
Te4 Hg1 Er3 N6 22.60(12) . . . . ?
Te1 Hg1 Er3 N6 -76.10(12) . . . . ?
Te2 Hg1 Er3 N6 -173.41(12) . . . . ?
Te3 Hg1 Er3 N6 87.69(12) . . . . ?
Er2 Hg1 Er3 N6 146.53(12) . . . . ?
Er1 Hg1 Er3 N6 -135.68(12) . . . . ?
Te4 Hg1 Er3 Te3 -65.088(19) . . . . ?
Te1 Hg1 Er3 Te3 -163.787(14) . . . . ?
Te2 Hg1 Er3 Te3 98.898(13) . . . . ?
Er2 Hg1 Er3 Te3 58.844(10) . . . . ?
Er1 Hg1 Er3 Te3 136.636(11) . . . . ?
Te4 Hg1 Er3 Te5 -161.437(18) . . . . ?
Te1 Hg1 Er3 Te5 99.864(12) . . . . ?
Te2 Hg1 Er3 Te5 2.549(12) . . . . ?
Te3 Hg1 Er3 Te5 -96.349(12) . . . . ?
Er2 Hg1 Er3 Te5 -37.505(9) . . . . ?
Er1 Hg1 Er3 Te5 40.287(9) . . . . ?
Te4 Hg1 Er3 Te1 98.70(2) . . . . ?
Te2 Hg1 Er3 Te1 -97.315(13) . . . . ?
Te3 Hg1 Er3 Te1 163.787(14) . . . . ?
Er2 Hg1 Er3 Te1 -137.368(11) . . . . ?
Er1 Hg1 Er3 Te1 -59.577(10) . . . . ?
Te4 Hg1 Te1 Er1 140.516(14) . . . . ?
Te2 Hg1 Te1 Er1 12.176(12) . . . . ?
Te3 Hg1 Te1 Er1 -102.941(11) . . . . ?
Er2 Hg1 Te1 Er1 -45.314(11) . . . . ?
Er3 Hg1 Te1 Er1 -89.433(9) . . . . ?
Te4 Hg1 Te1 Er3 -130.051(14) . . . . ?
Te2 Hg1 Te1 Er3 101.609(12) . . . . ?
Te3 Hg1 Te1 Er3 -13.509(12) . . . . ?
Er2 Hg1 Te1 Er3 44.119(10) . . . . ?
Er1 Hg1 Te1 Er3 89.433(9) . . . . ?
N1 Er1 Te1 Hg1 -176.0(4) . . . . ?
N2 Er1 Te1 Hg1 166.82(11) . . . . ?
Te2 Er1 Te1 Hg1 -11.312(11) . . . . ?
Te5 Er1 Te1 Hg1 79.280(11) . . . . ?
Te6 Er1 Te1 Hg1 -104.324(12) . . . . ?
N1 Er1 Te1 Er3 107.4(4) . . . . ?
N2 Er1 Te1 Er3 90.24(11) . . . . ?
Te2 Er1 Te1 Er3 -87.892(12) . . . . ?
Te5 Er1 Te1 Er3 2.700(10) . . . . ?
Te6 Er1 Te1 Er3 179.097(11) . . . . ?
Hg1 Er1 Te1 Er3 -76.579(10) . . . . ?
N7 Er3 Te1 Hg1 -165.74(11) . . . . ?
N5 Er3 Te1 Hg1 154.1(5) . . . . ?
N6 Er3 Te1 Hg1 106.10(11) . . . . ?
Te3 Er3 Te1 Hg1 12.744(11) . . . . ?
Te5 Er3 Te1 Hg1 -79.557(10) . . . . ?
N7 Er3 Te1 Er1 -88.92(11) . . . . ?
N5 Er3 Te1 Er1 -129.1(5) . . . . ?
N6 Er3 Te1 Er1 -177.07(11) . . . . ?
Te3 Er3 Te1 Er1 89.573(11) . . . . ?
Te5 Er3 Te1 Er1 -2.729(10) . . . . ?
Hg1 Er3 Te1 Er1 76.828(9) . . . . ?
Te4 Hg1 Te2 Er2 119.819(14) . . . . ?
Te1 Hg1 Te2 Er2 -106.119(12) . . . . ?
Te3 Hg1 Te2 Er2 7.721(11) . . . . ?
Er1 Hg1 Te2 Er2 -93.972(11) . . . . ?
Er3 Hg1 Te2 Er2 -48.894(10) . . . . ?
Te4 Hg1 Te2 Er1 -146.209(13) . . . . ?
Te1 Hg1 Te2 Er1 -12.147(12) . . . . ?
Te3 Hg1 Te2 Er1 101.693(12) . . . . ?
Er2 Hg1 Te2 Er1 93.972(11) . . . . ?
Er3 Hg1 Te2 Er1 45.078(10) . . . . ?
N3 Er2 Te2 Hg1 172.85(11) . . . . ?
N4 Er2 Te2 Hg1 -92.70(12) . . . . ?
Te3 Er2 Te2 Hg1 -7.207(10) . . . . ?
Te5 Er2 Te2 Hg1 83.185(10) . . . . ?
Te7 Er2 Te2 Hg1 -152.26(8) . . . . ?
N3 Er2 Te2 Er1 98.21(11) . . . . ?
N4 Er2 Te2 Er1 -167.34(12) . . . . ?
Te3 Er2 Te2 Er1 -81.843(11) . . . . ?
Te5 Er2 Te2 Er1 8.549(11) . . . . ?
Te7 Er2 Te2 Er1 133.11(8) . . . . ?
Hg1 Er2 Te2 Er1 -74.636(9) . . . . ?
N1 Er1 Te2 Hg1 -172.82(11) . . . . ?
N2 Er1 Te2 Hg1 -151.0(10) . . . . ?
Te1 Er1 Te2 Hg1 11.151(11) . . . . ?
Te5 Er1 Te2 Hg1 -82.801(10) . . . . ?
Te6 Er1 Te2 Hg1 98.095(11) . . . . ?
N1 Er1 Te2 Er2 -98.57(11) . . . . ?
N2 Er1 Te2 Er2 -76.8(10) . . . . ?
Te1 Er1 Te2 Er2 85.394(12) . . . . ?
Te5 Er1 Te2 Er2 -8.558(11) . . . . ?
Te6 Er1 Te2 Er2 172.338(11) . . . . ?
Hg1 Er1 Te2 Er2 74.243(10) . . . . ?
Te4 Hg1 Te3 Er3 141.985(12) . . . . ?
Te1 Hg1 Te3 Er3 13.657(12) . . . . ?
Te2 Hg1 Te3 Er3 -100.494(11) . . . . ?
Er2 Hg1 Te3 Er3 -92.798(10) . . . . ?
Er1 Hg1 Te3 Er3 -43.103(10) . . . . ?
Te4 Hg1 Te3 Er2 -125.217(12) . . . . ?
Te1 Hg1 Te3 Er2 106.455(11) . . . . ?
Te2 Hg1 Te3 Er2 -7.696(11) . . . . ?
Er1 Hg1 Te3 Er2 49.694(10) . . . . ?
Er3 Hg1 Te3 Er2 92.798(10) . . . . ?
N7 Er3 Te3 Hg1 159.2(6) . . . . ?
N5 Er3 Te3 Hg1 176.04(12) . . . . ?
N6 Er3 Te3 Hg1 -98.69(12) . . . . ?
Te5 Er3 Te3 Hg1 81.895(10) . . . . ?
Te1 Er3 Te3 Hg1 -12.453(11) . . . . ?
N7 Er3 Te3 Er2 85.2(6) . . . . ?
N5 Er3 Te3 Er2 102.02(12) . . . . ?
N6 Er3 Te3 Er2 -172.70(12) . . . . ?
Te5 Er3 Te3 Er2 7.882(11) . . . . ?
Te1 Er3 Te3 Er2 -86.466(12) . . . . ?
Hg1 Er3 Te3 Er2 -74.012(9) . . . . ?
N3 Er2 Te3 Hg1 -173.2(7) . . . . ?
N4 Er2 Te3 Hg1 93.01(12) . . . . ?
Te2 Er2 Te3 Hg1 7.178(10) . . . . ?
Te5 Er2 Te3 Hg1 -82.931(11) . . . . ?
Te7 Er2 Te3 Hg1 -178.181(12) . . . . ?
N3 Er2 Te3 Er3 -98.0(7) . . . . ?
N4 Er2 Te3 Er3 168.15(12) . . . . ?
Te2 Er2 Te3 Er3 82.319(12) . . . . ?
Te5 Er2 Te3 Er3 -7.790(11) . . . . ?
Te7 Er2 Te3 Er3 -103.040(13) . . . . ?
Hg1 Er2 Te3 Er3 75.141(10) . . . . ?
Te1 Hg1 Te4 C1 -62.84(15) . . . . ?
Te2 Hg1 Te4 C1 63.54(15) . . . . ?
Te3 Hg1 Te4 C1 178.93(15) . . . . ?
Er2 Hg1 Te4 C1 123.81(15) . . . . ?
Er1 Hg1 Te4 C1 7.75(15) . . . . ?
Er3 Hg1 Te4 C1 -132.71(15) . . . . ?
N7 Er3 Te5 Er1 93.33(11) . . . . ?
N5 Er3 Te5 Er1 171.70(11) . . . . ?
N6 Er3 Te5 Er1 89.0(12) . . . . ?
Te3 Er3 Te5 Er1 -96.906(11) . . . . ?
Te1 Er3 Te5 Er1 2.693(10) . . . . ?
Hg1 Er3 Te5 Er1 -46.110(8) . . . . ?
N7 Er3 Te5 Er2 -177.61(11) . . . . ?
N5 Er3 Te5 Er2 -99.24(11) . . . . ?
N6 Er3 Te5 Er2 178.1(12) . . . . ?
Te3 Er3 Te5 Er2 -7.852(11) . . . . ?
Te1 Er3 Te5 Er2 91.747(12) . . . . ?
Hg1 Er3 Te5 Er2 42.943(9) . . . . ?
N1 Er1 Te5 Er3 -168.12(10) . . . . ?
N2 Er1 Te5 Er3 -88.84(11) . . . . ?
Te1 Er1 Te5 Er3 -2.716(10) . . . . ?
Te2 Er1 Te5 Er3 96.843(11) . . . . ?
Te6 Er1 Te5 Er3 -97.5(2) . . . . ?
Hg1 Er1 Te5 Er3 46.255(8) . . . . ?
N1 Er1 Te5 Er2 103.51(10) . . . . ?
N2 Er1 Te5 Er2 -177.21(11) . . . . ?
Te1 Er1 Te5 Er2 -91.084(11) . . . . ?
Te2 Er1 Te5 Er2 8.475(11) . . . . ?
Te6 Er1 Te5 Er2 174.12(19) . . . . ?
Hg1 Er1 Te5 Er2 -42.113(8) . . . . ?
N3 Er2 Te5 Er3 178.09(11) . . . . ?
N4 Er2 Te5 Er3 -42.7(13) . . . . ?
Te2 Er2 Te5 Er3 -94.270(11) . . . . ?
Te3 Er2 Te5 Er3 7.773(11) . . . . ?
Te7 Er2 Te5 Er3 93.458(12) . . . . ?
Hg1 Er2 Te5 Er3 -43.370(9) . . . . ?
N3 Er2 Te5 Er1 -96.14(11) . . . . ?
N4 Er2 Te5 Er1 43.0(13) . . . . ?
Te2 Er2 Te5 Er1 -8.498(11) . . . . ?
Te3 Er2 Te5 Er1 93.544(11) . . . . ?
Te7 Er2 Te5 Er1 179.230(12) . . . . ?
Hg1 Er2 Te5 Er1 42.401(8) . . . . ?
N1 Er1 Te6 C7 -29.44(18) . . . . ?
N2 Er1 Te6 C7 -108.75(18) . . . . ?
Te1 Er1 Te6 C7 164.89(15) . . . . ?
Te2 Er1 Te6 C7 65.54(15) . . . . ?
Te5 Er1 Te6 C7 -100.1(2) . . . . ?
Hg1 Er1 Te6 C7 116.42(15) . . . . ?
N3 Er2 Te7 C13B 2.0(2) . . . . ?
N4 Er2 Te7 C13B -92.4(2) . . . . ?
Te2 Er2 Te7 C13B -33.0(2) . . . . ?
Te3 Er2 Te7 C13B -178.8(2) . . . . ?
Te5 Er2 Te7 C13B 91.2(2) . . . . ?
Hg1 Er2 Te7 C13B 179.1(2) . . . . ?
N3 Er2 Te7 C13A 10.2(3) . . . . ?
N4 Er2 Te7 C13A -84.3(3) . . . . ?
Te2 Er2 Te7 C13A -24.8(3) . . . . ?
Te3 Er2 Te7 C13A -170.7(3) . . . . ?
Te5 Er2 Te7 C13A 99.4(3) . . . . ?
Hg1 Er2 Te7 C13A -172.7(3) . . . . ?
Hg1 Te4 C1 C6 -11.7(5) . . . . ?
Hg1 Te4 C1 C2 172.3(4) . . . . ?
C6 C1 C2 C3 1.4(9) . . . . ?
Te4 C1 C2 C3 177.6(5) . . . . ?
C1 C2 C3 C4 -1.9(10) . . . . ?
C2 C3 C4 C5 1.5(10) . . . . ?
C3 C4 C5 C6 -0.7(10) . . . . ?
C4 C5 C6 C1 0.3(9) . . . . ?
C2 C1 C6 C5 -0.7(9) . . . . ?
Te4 C1 C6 C5 -176.7(4) . . . . ?
Er1 Te6 C7 C12 -25.4(5) . . . . ?
Er1 Te6 C7 C8 156.4(4) . . . . ?
C12 C7 C8 C9 -2.0(9) . . . . ?
Te6 C7 C8 C9 176.3(5) . . . . ?
C7 C8 C9 C10 2.9(10) . . . . ?
C8 C9 C10 C11 -0.8(11) . . . . ?
C9 C10 C11 C12 -2.2(10) . . . . ?
C10 C11 C12 C7 3.2(9) . . . . ?
C8 C7 C12 C11 -1.1(8) . . . . ?
Te6 C7 C12 C11 -179.3(4) . . . . ?
C13B Te7 C13A C14A -83(2) . . . . ?
Er2 Te7 C13A C14A -148.7(5) . . . . ?
C13B Te7 C13A C18A 97(3) . . . . ?
Er2 Te7 C13A C18A 31.5(7) . . . . ?
C18A C13A C14A C15A 0.0 . . . . ?
Te7 C13A C14A C15A -179.9(8) . . . . ?
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 179.9(8) . . . . ?
C13A Te7 C13B C14B 135(3) . . . . ?
Er2 Te7 C13B C14B -108.1(6) . . . . ?
C13A Te7 C13B C18B -51(2) . . . . ?
Er2 Te7 C13B C18B 66.2(6) . . . . ?
C18B C13B C14B C15B 0.0 . . . . ?
Te7 C13B C14B C15B 174.4(8) . . . . ?
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 -174.3(8) . . . . ?
N2 Er1 N1 C19 51.9(4) . . . . ?
Te1 Er1 N1 C19 34.5(7) . . . . ?
Te2 Er1 N1 C19 -130.4(4) . . . . ?
Te5 Er1 N1 C19 139.7(4) . . . . ?
Te6 Er1 N1 C19 -36.9(4) . . . . ?
Hg1 Er1 N1 C19 -140.2(4) . . . . ?
N2 Er1 N1 C23 -137.6(4) . . . . ?
Te1 Er1 N1 C23 -155.1(3) . . . . ?
Te2 Er1 N1 C23 40.1(4) . . . . ?
Te5 Er1 N1 C23 -49.9(4) . . . . ?
Te6 Er1 N1 C23 133.5(4) . . . . ?
Hg1 Er1 N1 C23 30.3(5) . . . . ?
C23 N1 C19 C20 -1.5(8) . . . . ?
Er1 N1 C19 C20 169.1(4) . . . . ?
N1 C19 C20 C21 0.1(9) . . . . ?
C19 C20 C21 C22 1.0(9) . . . . ?
C20 C21 C22 C23 -0.6(9) . . . . ?
C19 N1 C23 C22 1.9(9) . . . . ?
Er1 N1 C23 C22 -169.1(5) . . . . ?
C21 C22 C23 N1 -0.9(9) . . . . ?
N1 Er1 N2 C24 56.5(4) . . . . ?
Te1 Er1 N2 C24 -128.0(4) . . . . ?
Te2 Er1 N2 C24 34.4(13) . . . . ?
Te5 Er1 N2 C24 -33.9(4) . . . . ?
Te6 Er1 N2 C24 145.5(4) . . . . ?
Hg1 Er1 N2 C24 -113.8(4) . . . . ?
N1 Er1 N2 C28 -126.6(4) . . . . ?
Te1 Er1 N2 C28 48.9(4) . . . . ?
Te2 Er1 N2 C28 -148.6(8) . . . . ?
Te5 Er1 N2 C28 143.0(4) . . . . ?
Te6 Er1 N2 C28 -37.5(4) . . . . ?
Hg1 Er1 N2 C28 63.1(5) . . . . ?
C28 N2 C24 C25 0.6(9) . . . . ?
Er1 N2 C24 C25 177.6(5) . . . . ?
N2 C24 C25 C26 -1.4(11) . . . . ?
C24 C25 C26 C27 1.4(10) . . . . ?
C25 C26 C27 C28 -0.5(9) . . . . ?
C24 N2 C28 C27 0.4(8) . . . . ?
Er1 N2 C28 C27 -176.7(4) . . . . ?
C26 C27 C28 N2 -0.4(9) . . . . ?
N4 Er2 N3 C33 -40.9(5) . . . . ?
Te2 Er2 N3 C33 45.7(4) . . . . ?
Te3 Er2 N3 C33 -134.0(6) . . . . ?
Te5 Er2 N3 C33 135.7(5) . . . . ?
Te7 Er2 N3 C33 -129.0(5) . . . . ?
Hg1 Er2 N3 C33 54.0(5) . . . . ?
N4 Er2 N3 C29 144.4(4) . . . . ?
Te2 Er2 N3 C29 -129.1(4) . . . . ?
Te3 Er2 N3 C29 51.3(9) . . . . ?
Te5 Er2 N3 C29 -39.0(4) . . . . ?
Te7 Er2 N3 C29 56.3(4) . . . . ?
Hg1 Er2 N3 C29 -120.7(4) . . . . ?
C33 N3 C29 C30 -1.2(9) . . . . ?
Er2 N3 C29 C30 173.7(5) . . . . ?
N3 C29 C30 C31 1.2(10) . . . . ?
C29 C30 C31 C32 -0.4(10) . . . . ?
C30 C31 C32 C33 -0.3(11) . . . . ?
C29 N3 C33 C32 0.4(9) . . . . ?
Er2 N3 C33 C32 -174.5(5) . . . . ?
C31 C32 C33 N3 0.3(11) . . . . ?
N3 Er2 N4 C34 132.3(5) . . . . ?
Te2 Er2 N4 C34 44.9(4) . . . . ?
Te3 Er2 N4 C34 -57.4(4) . . . . ?
Te5 Er2 N4 C34 -6.8(16) . . . . ?
Te7 Er2 N4 C34 -143.2(4) . . . . ?
Hg1 Er2 N4 C34 -6.1(4) . . . . ?
N3 Er2 N4 C38 -62.2(5) . . . . ?
Te2 Er2 N4 C38 -149.6(5) . . . . ?
Te3 Er2 N4 C38 108.1(5) . . . . ?
Te5 Er2 N4 C38 158.7(10) . . . . ?
Te7 Er2 N4 C38 22.3(5) . . . . ?
Hg1 Er2 N4 C38 159.4(5) . . . . ?
C38 N4 C34 C35 -0.5(9) . . . . ?
Er2 N4 C34 C35 165.9(5) . . . . ?
N4 C34 C35 C36 0.9(11) . . . . ?
C34 C35 C36 C37 -0.1(11) . . . . ?
C35 C36 C37 C38 -1.2(11) . . . . ?
C34 N4 C38 C37 -0.8(10) . . . . ?
Er2 N4 C38 C37 -166.6(5) . . . . ?
C36 C37 C38 N4 1.6(11) . . . . ?
N7 Er3 N5 C39 125.8(5) . . . . ?
N6 Er3 N5 C39 -145.0(5) . . . . ?
Te3 Er3 N5 C39 -51.1(5) . . . . ?
Te5 Er3 N5 C39 40.6(5) . . . . ?
Te1 Er3 N5 C39 167.0(4) . . . . ?
Hg1 Er3 N5 C39 -46.0(5) . . . . ?
N7 Er3 N5 C43 -45.2(5) . . . . ?
N6 Er3 N5 C43 43.9(5) . . . . ?
Te3 Er3 N5 C43 137.9(5) . . . . ?
Te5 Er3 N5 C43 -130.4(5) . . . . ?
Te1 Er3 N5 C43 -4.1(10) . . . . ?
Hg1 Er3 N5 C43 142.9(5) . . . . ?
C43 N5 C39 C40 -1.2(10) . . . . ?
Er3 N5 C39 C40 -173.2(6) . . . . ?
N5 C39 C40 C41 1.5(12) . . . . ?
C39 C40 C41 C42 -0.9(13) . . . . ?
C40 C41 C42 C43 0.2(13) . . . . ?
C39 N5 C43 C42 0.5(10) . . . . ?
Er3 N5 C43 C42 171.3(6) . . . . ?
C41 C42 C43 N5 0.1(12) . . . . ?
N7 Er3 N6 C48 -65.7(5) . . . . ?
N5 Er3 N6 C48 -144.5(5) . . . . ?
Te3 Er3 N6 C48 124.5(5) . . . . ?
Te5 Er3 N6 C48 -61.4(15) . . . . ?
Te1 Er3 N6 C48 25.3(5) . . . . ?
Hg1 Er3 N6 C48 73.2(5) . . . . ?
N7 Er3 N6 C44 123.5(4) . . . . ?
N5 Er3 N6 C44 44.7(4) . . . . ?
Te3 Er3 N6 C44 -46.2(4) . . . . ?
Te5 Er3 N6 C44 127.8(11) . . . . ?
Te1 Er3 N6 C44 -145.4(4) . . . . ?
Hg1 Er3 N6 C44 -97.6(4) . . . . ?
C48 N6 C44 C45 0.4(9) . . . . ?
Er3 N6 C44 C45 172.1(5) . . . . ?
N6 C44 C45 C46 -0.7(10) . . . . ?
C44 C45 C46 C47 1.2(10) . . . . ?
C45 C46 C47 C48 -1.6(10) . . . . ?
C44 N6 C48 C47 -0.8(9) . . . . ?
Er3 N6 C48 C47 -171.4(4) . . . . ?
C46 C47 C48 N6 1.4(9) . . . . ?
N5 Er3 N7 C53 142.9(4) . . . . ?
N6 Er3 N7 C53 57.5(4) . . . . ?
Te3 Er3 N7 C53 160.1(4) . . . . ?
Te5 Er3 N7 C53 -122.1(4) . . . . ?
Te1 Er3 N7 C53 -28.1(4) . . . . ?
Hg1 Er3 N7 C53 -44.6(5) . . . . ?
N5 Er3 N7 C49 -41.8(4) . . . . ?
N6 Er3 N7 C49 -127.2(4) . . . . ?
Te3 Er3 N7 C49 -24.6(9) . . . . ?
Te5 Er3 N7 C49 53.2(4) . . . . ?
Te1 Er3 N7 C49 147.2(4) . . . . ?
Hg1 Er3 N7 C49 130.7(4) . . . . ?
C53 N7 C49 C50 -1.2(9) . . . . ?
Er3 N7 C49 C50 -176.7(5) . . . . ?
N7 C49 C50 C51 0.0(10) . . . . ?
C49 C50 C51 C52 0.5(10) . . . . ?
C50 C51 C52 C53 0.2(10) . . . . ?
C49 N7 C53 C52 2.0(8) . . . . ?
Er3 N7 C53 C52 177.5(4) . . . . ?
C51 C52 C53 N7 -1.5(10) . . . . ?
C58 N8 C54 C55 -2(3) . . . . ?
N8 C54 C55 C56 4(3) . . . . ?
C54 C55 C56 C57 -11(2) . . . . ?
C55 C56 C57 C58 16(2) . . . . ?
C56 C57 C58 N8 -16(3) . . . . ?
C54 N8 C58 C57 9(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 . . . . ?
