##############################################################################
#                                                                            #
# This CIF contains the data in a paper accepted for publication in          #
# Acta Crystallographica Section E. It conforms to the requirements of       #
# Notes for Authors for Acta Crystallographica Section E, and has been       #
# peer reviewed under the auspices of the IUCr Commission on Journals.       #
#                                                                            #
# Full details of the Crystallographic Information File format               #
# are given in the paper "The Crystallographic Information File (CIF):       #
# a New Standard Archive File for Crystallography" by S. R. Hall, F. H.      #
# Allen and I. D. Brown [Acta Cryst. (1991), A47, 655-685].                  #
#                                                                            #
# The current version of the core CIF dictionary is obtainable from          #
# ftp://ftp.iucr.org/pub/cif_core.dic.                                       #
#                                                                            #
# Software is freely available for graphical display of the structure(s)     #
# in this CIF. For information consult the CIF software page                 #
# http://www.iucr.org/resources/cif/software.                                #
#                                                                            #
# This file may be used for bona fide research purposes within the           #
# scientific community so long as proper attribution is given to the journal # 
# article from which it was obtained.                                        #
#                                                                            #
##############################################################################
data_I
_database_code_depnum_ccdc_archive 'CCDC 1981874'
_audit_creation_method     'SHELXL-2018/1'
_journal_date_recd_electronic     2019-11-18
_journal_date_accepted     2020-02-04
_journal_name_full     'Acta Crystallographica, Section E'
_journal_year     2020
_journal_volume     76
_journal_issue      3
_journal_page_first     328
_journal_page_last     331
_journal_paper_category     GM
_journal_paper_doi     10.1107/S2056989020001577
_journal_coeditor_code     WM5530
_publ_contact_author_name     'Inna S. Safyanova'
_publ_contact_author_address
;
Department of Chemistry, National Taras Shevchenko University of Kyiv,
Volodymyrska Street 64,  Kyiv,
01601
Ukraine
;
_publ_contact_author_email     'sssafyanova@gmail.com'
_publ_contact_author_fax     ?
_publ_contact_author_phone     ?
_publ_section_title
;
Crystal structure of
poly[(μ₃-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]
;
_publ_section_title_footnote     .
loop_
    _publ_author_name
    _publ_author_footnote
    _publ_author_address
    'Safyanova, Inna S.' .
;
Department of Chemistry, National Taras Shevchenko University of Kyiv,
Volodymyrska Street 64, Kyiv,
01601
Ukraine
;
    'Bondar, Oksana A.' .
;
Department of Chemistry, National Taras Shevchenko University of Kyiv,
Volodymyrska Street 64, Kyiv,
01601
Ukraine
;
    'Pavlishchuk, Anna V.' .
;
Department of Chemistry, National Taras Shevchenko University of Kyiv,
Volodymyrska Street 64, Kyiv,
01601
Ukraine
;
    'Omelchenko, Iryna V.' .
;
SSI "Institute for Single Crystals", National Academy of Sciences of Ukraine,
Nauky ave. 60, 61001 Kharkiv,
Ukraine
;
    'Iskenderov, Turganbay S.' .
;
Department of Chemistry, National Taras Shevchenko University of Kyiv,
Volodymyrska Street 64, Kyiv,
01601
Ukraine
;
    'Kalibabchuk, Valentina A.' .
;
Department of General Chemistry, O.O. Bohomolets National Medical University,
Shevchenko Blvd. 13, 01601 Kyiv,
Ukraine
;
_publ_section_synopsis
;
The thallium(I) atom in the polymeric title compound is bonded to four O atoms,
with the lone pair electrons stereochemically active.
;
_chemical_name_systematic
;
Poly[(μ₃-4-amino-1,2,5-oxadiazole-3-hydroxamato)thallium(I)]
;
_chemical_name_common     ?
_chemical_formula_moiety     'C3 H3 N4 O3 Tl'
_chemical_formula_sum     'C3 H3 N4 O3 Tl'
_chemical_formula_iupac     '[Tl (C3 H3 N4 O3)]'
_chemical_formula_weight     347.46
_chemical_melting_point     ?
_space_group_crystal_system     monoclinic
_space_group_name_H-M_alt     'P 21/c'
_space_group_name_Hall     '-P 2ybc'
loop_
    _space_group_symop_operation_xyz
    'x, y, z'
    '-x, y+1/2, -z+1/2'
    '-x, -y, -z'
    'x, -y-1/2, z-1/2'
_cell_length_a     10.0731(4)
_cell_length_b     3.74576(18)
_cell_length_c     16.9805(6)
_cell_angle_alpha     90
_cell_angle_beta     95.808(4)
_cell_angle_gamma     90
_cell_volume     637.41(5)
_cell_formula_units_Z     4
_cell_measurement_reflns_used     216
_cell_measurement_theta_min     4.3460
_cell_measurement_theta_max     22.2550
_cell_measurement_temperature     298(2)
_exptl_crystal_description     block
_exptl_crystal_colour     'clear colourless'
_exptl_crystal_size_max     0.2
_exptl_crystal_size_mid     0.2
_exptl_crystal_size_min     0.2
_exptl_crystal_density_diffrn     3.610
_exptl_crystal_density_meas     ?
_exptl_crystal_density_method     ?
_exptl_crystal_F_000     612
_exptl_absorpt_coefficient_mu     25.297
_exptl_absorpt_correction_type     multi-scan
_exptl_absorpt_process_details
;
(CrysAlis PRO; Agilent, 2012)
;
_exptl_absorpt_correction_T_min     0.23088
_exptl_absorpt_correction_T_max     1.00000
_diffrn_ambient_temperature     298(2)
_diffrn_source     ?
_diffrn_radiation_type     MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_measurement_device_type     'Agilent Xcalibur Sapphire3 CCD'
_diffrn_measurement_method     'ω scans'
_diffrn_detector_area_resol_mean     ?
_diffrn_reflns_number     4634
_diffrn_reflns_av_R_equivalents     0.0561
_diffrn_reflns_av_unetI/netI     0.0572
_diffrn_reflns_theta_min     2.993
_diffrn_reflns_theta_max     27.496
_diffrn_reflns_theta_full     25.242
_diffrn_measured_fraction_theta_max     0.994
_diffrn_measured_fraction_theta_full     0.993
_diffrn_reflns_limit_h_min     -13
_diffrn_reflns_limit_h_max     13
_diffrn_reflns_limit_k_min     -4
_diffrn_reflns_limit_k_max     4
_diffrn_reflns_limit_l_min     -22
_diffrn_reflns_limit_l_max     19
_refine_special_details     ?
_reflns_number_total     1452
_reflns_number_gt     1320
_reflns_threshold_expression     'I > 2σ(I)'
_refine_ls_structure_factor_coef     Fsqd
_refine_ls_matrix_type     full
_refine_ls_R_factor_all     0.0501
_refine_ls_R_factor_gt     0.0450
_refine_ls_wR_factor_gt     0.1053
_refine_ls_wR_factor_ref     0.1105
_refine_ls_goodness_of_fit_ref     1.070
_refine_ls_restrained_S_all     1.070
_refine_ls_number_reflns     1452
_refine_ls_number_parameters     100
_refine_ls_number_restraints     0
_refine_ls_hydrogen_treatment     constr
_refine_ls_weighting_scheme     calc
_refine_ls_weighting_details
                      'w=1/[σ²(Fo²)+(0.0629P)²] where P=(Fo²+2Fc²)/3'
_atom_sites_solution_hydrogens     difmap
_atom_sites_solution_primary     ?
_atom_sites_solution_secondary     ?
_refine_ls_shift/su_max     0.001
_refine_ls_shift/su_mean     0.000
_refine_diff_density_max     6.168
_refine_diff_density_min     -2.231
_refine_ls_extinction_method     none
_refine_ls_extinction_coef     .
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'
    'O' 'O' 0.0106 0.0060
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
    'Tl' 'Tl' -2.8358 9.6688
                         'International Tables Vol C Tables 4.2.6.8 and 6.1.1.4'
_computing_data_collection
;
CrysAlis PRO (Agilent, 2012)
;
_computing_cell_refinement
;
CrysAlis PRO (Agilent, 2012)
;
_computing_data_reduction
;
CrysAlis PRO (Agilent, 2012)
;
_computing_structure_solution
;
SHELXT (Sheldrick, 2015)
;
_computing_structure_refinement
;
olex2.refine (Bourhis et al.,  2015)
;
_computing_molecular_graphics
;
OLEX2 (Dolomanov et al.,  2009)
;
_computing_publication_material
;
OLEX2 (Dolomanov et al.,  2009)
;
loop_
    _atom_site_type_symbol
    _atom_site_label
    _atom_site_fract_x
    _atom_site_fract_y
    _atom_site_fract_z
    _atom_site_U_iso_or_equiv
    _atom_site_adp_type
    _atom_site_calc_flag
    _atom_site_occupancy
    _atom_site_disorder_assembly
    _atom_site_disorder_group
    Tl Tl1 0.05880(4) 0.45183(11) 0.86058(2) 0.03141(19) Uani d 1 . .
    O O2 0.1164(7) 0.4279(17) 0.7187(4) 0.0298(15) Uani d 1 . .
    O O1 0.2851(8) 0.0779(19) 0.8210(4) 0.0339(17) Uani d 1 . .
    O O3 0.2375(8) 0.4924(18) 0.4946(5) 0.0339(17) Uani d 1 . .
    N N2 0.1809(10) 0.510(2) 0.5642(6) 0.0299(19) Uani d 1 . .
    N N1 0.3245(8) 0.148(2) 0.7450(4) 0.0301(17) Uani d 1 . .
    C C1 0.2298(9) 0.319(2) 0.7013(5) 0.0257(18) Uani d 1 . .
    N N4 0.4966(9) 0.110(2) 0.6207(5) 0.0339(19) Uani d 1 . .
    H H4A 0.528766 -0.041040 0.583376 0.041 Uiso d 1 . .
    H H4B 0.482666 0.024160 0.675476 0.041 Uiso d 1 . .
    N N3 0.3648(8) 0.328(2) 0.5070(4) 0.0332(18) Uani d 1 . .
    C C2 0.2653(9) 0.367(3) 0.6185(5) 0.0267(18) Uani d 1 . .
    C C3 0.3828(9) 0.254(2) 0.5839(5) 0.0243(17) Uani d 1 . .
_geom_special_details
;
 All esds (except the esd in the dihedral angle between two l.s. planes)
 are estimated using the full covariance matrix.  The cell esds are taken
 into account individually in the estimation of esds in distances, angles
 and torsion angles; correlations between esds in cell parameters are only
 used when they are defined by crystal symmetry.  An approximate (isotropic)
 treatment of cell esds is used for estimating esds involving l.s. planes.
;
loop_
    _geom_bond_atom_site_label_1
    _geom_bond_atom_site_label_2
    _geom_bond_site_symmetry_2
    _geom_bond_distance
    _geom_bond_publ_flag
    Tl1 O2 . 2.537(7) ?
    Tl1 O2 2_556 2.761(7) ?
    Tl1 O1 . 2.814(7) ?
    Tl1 O2 2_546 2.880(7) ?
    Tl1 O3 4_566 3.219(8) ?
    Tl1 N2 2_546 3.289(9) ?
    Tl1 C1 2_556 3.291(9) n
    Tl1 O1 1_565 3.385(7) ?
    Tl1 C1 . 3.387(8) n
    Tl1 O3 4_576 3.453(8) ?
    O2 C1 . 1.275(11) ?
    O1 N1 . 1.412(9) ?
    O3 N2 . 1.365(11) ?
    O3 N3 . 1.419(11) ?
    N2 C2 . 1.304(14) ?
    N1 C1 . 1.314(12) ?
    C1 C2 . 1.497(11) ?
    N4 C3 . 1.360(13) ?
    N4 H4A . 0.9324 ?
    N4 H4B . 1.0077 ?
    N3 C3 . 1.329(11) ?
    C2 C3 . 1.437(11) ?
loop_
    _geom_angle_atom_site_label_1
    _geom_angle_atom_site_label_2
    _geom_angle_atom_site_label_3
    _geom_angle_site_symmetry_1
    _geom_angle_site_symmetry_3
    _geom_angle
    _geom_angle_publ_flag
    O2 Tl1 O2 . 2_556 75.9(2) ?
    O2 Tl1 O1 . . 59.1(2) ?
    O2 Tl1 O1 2_556 . 134.3(2) ?
    O2 Tl1 O2 . 2_546 73.8(2) ?
    O2 Tl1 O2 2_556 2_546 83.2(2) ?
    O1 Tl1 O2 . 2_546 91.3(2) ?
    O2 Tl1 O3 . 4_566 119.2(2) ?
    O2 Tl1 O3 2_556 4_566 164.3(2) ?
    O1 Tl1 O3 . 4_566 60.21(19) ?
    O2 Tl1 O3 2_546 4_566 104.50(19) ?
    O2 Tl1 O1 . 1_565 67.2(2) ?
    O2 Tl1 O1 2_556 1_565 82.28(19) ?
    O1 Tl1 O1 . 1_565 73.70(16) ?
    O2 Tl1 O1 2_546 1_565 140.56(18) ?
    O3 Tl1 O1 4_566 1_565 99.15(19) ?
    O2 Tl1 O3 . 4_576 119.6(2) ?
    O2 Tl1 O3 2_556 4_576 101.3(2) ?
    O1 Tl1 O3 . 4_576 94.4(2) ?
    O2 Tl1 O3 2_546 4_576 166.55(18) ?
    O3 Tl1 O3 4_566 4_576 68.20(17) ?
    O1 Tl1 O3 1_565 4_576 52.89(17) ?
    Tl1 O2 Tl1 . 2_546 106.8(2) ?
    C1 O2 Tl1 . 2_556 129.1(6) n
    Tl1 O2 Tl1 . 2_556 103.4(2) ?
    Tl1 O2 Tl1 2_546 2_556 83.2(2) ?
    C1 O2 Tl1 . 1_545 91.8(5) n
    Tl1 O2 Tl1 . 1_545 57.29(13) ?
    Tl1 O2 Tl1 2_546 1_545 67.75(13) ?
    Tl1 O2 Tl1 2_556 1_545 134.9(2) ?
    C1 O2 Tl1 . 1_565 123.5(6) n
    Tl1 O2 Tl1 . 1_565 54.51(12) ?
    Tl1 O2 Tl1 2_546 1_565 133.3(2) ?
    Tl1 O2 Tl1 2_556 1_565 64.69(12) ?
    Tl1 O2 Tl1 1_545 1_565 111.80(14) ?
    N1 O1 Tl1 . . 115.8(5) ?
    N1 O1 Tl1 . 1_545 124.6(6) ?
    Tl1 O1 Tl1 . 1_545 73.70(15) ?
    N1 O1 Tl1 . 2_546 69.9(5) ?
    Tl1 O1 Tl1 . 2_546 67.89(16) ?
    Tl1 O1 Tl1 1_545 2_546 64.47(13) ?
    N2 O3 N3 . . 110.1(8) ?
    N2 O3 Tl1 . 4_565 112.7(6) ?
    N3 O3 Tl1 . 4_565 108.2(5) ?
    N2 O3 Tl1 . 4_575 107.8(5) ?
    N3 O3 Tl1 . 4_575 139.7(5) ?
    Tl1 O3 Tl1 4_565 4_575 68.20(17) ?
    N2 O3 Tl1 . 2_556 29.7(5) ?
    N3 O3 Tl1 . 2_556 137.7(5) ?
    Tl1 O3 Tl1 4_565 2_556 103.6(2) ?
    Tl1 O3 Tl1 4_575 2_556 78.16(14) ?
    N2 O3 Tl1 . 2_546 36.6(5) ?
    N3 O3 Tl1 . 2_546 111.1(5) ?
    Tl1 O3 Tl1 4_565 2_546 78.51(15) ?
    Tl1 O3 Tl1 4_575 2_546 107.4(2) ?
    Tl1 O3 Tl1 2_556 2_546 49.53(8) ?
    C2 N2 O3 . . 107.0(8) ?
    C1 N1 O1 . . 110.6(7) ?
    O2 C1 N1 . . 129.9(8) ?
    O2 C1 C2 . . 118.9(9) ?
    N1 C1 C2 . . 111.1(7) ?
    C3 N4 H4A . . 105.2 ?
    C3 N4 H4B . . 111.1 ?
    H4A N4 H4B . . 121.6 ?
    C3 N3 O3 . . 105.6(6) ?
    N2 C2 C3 . . 109.7(8) ?
    N2 C2 C1 . . 120.8(8) ?
    C3 C2 C1 . . 129.3(9) ?
    N3 C3 N4 . . 124.0(7) ?
    N3 C3 C2 . . 107.6(8) ?
    N4 C3 C2 . . 128.3(8) ?
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_site_symmetry_1
    _geom_torsion_site_symmetry_2
    _geom_torsion_site_symmetry_3
    _geom_torsion_site_symmetry_4
    _geom_torsion
    _geom_torsion_publ_flag
    N3 O3 N2 C2 . . . . -0.1(10) ?
    Tl1 O3 N2 C2 4_565 . . . 120.8(7) ?
    Tl1 O3 N2 C2 4_575 . . . -166.0(6) ?
    Tl1 O3 N2 C2 2_556 . . . -161.9(14) ?
    Tl1 O3 N2 C2 2_546 . . . 98.6(9) ?
    N3 O3 N2 Tl1 . . . 2_556 161.8(7) ?
    Tl1 O3 N2 Tl1 4_565 . . 2_556 -77.3(8) ?
    Tl1 O3 N2 Tl1 4_575 . . 2_556 -4.1(10) ?
    Tl1 O3 N2 Tl1 2_546 . . 2_556 -99.5(12) ?
    N3 O3 N2 Tl1 . . . 2_546 -98.7(9) ?
    Tl1 O3 N2 Tl1 4_565 . . 2_546 22.2(9) ?
    Tl1 O3 N2 Tl1 4_575 . . 2_546 95.4(6) ?
    Tl1 O3 N2 Tl1 2_556 . . 2_546 99.5(12) ?
    N3 O3 N2 Tl1 . . . 4_565 -120.9(7) ?
    Tl1 O3 N2 Tl1 4_575 . . 4_565 73.2(4) ?
    Tl1 O3 N2 Tl1 2_556 . . 4_565 77.3(8) ?
    Tl1 O3 N2 Tl1 2_546 . . 4_565 -22.2(9) ?
    N3 O3 N2 Tl1 . . . 4_575 165.9(8) ?
    Tl1 O3 N2 Tl1 4_565 . . 4_575 -73.2(4) ?
    Tl1 O3 N2 Tl1 2_556 . . 4_575 4.1(10) ?
    Tl1 O3 N2 Tl1 2_546 . . 4_575 -95.4(6) ?
    Tl1 O1 N1 C1 . . . . -13.7(9) ?
    Tl1 O1 N1 C1 1_545 . . . 73.8(9) ?
    Tl1 O1 N1 C1 2_546 . . . 37.9(6) ?
    Tl1 O1 N1 Tl1 1_545 . . . 87.4(6) ?
    Tl1 O1 N1 Tl1 2_546 . . . 51.6(4) ?
    Tl1 O1 N1 Tl1 . . . 2_546 -51.6(4) ?
    Tl1 O1 N1 Tl1 1_545 . . 2_546 35.9(5) ?
    Tl1 O1 N1 Tl1 . . . 1_545 -87.4(6) ?
    Tl1 O1 N1 Tl1 2_546 . . 1_545 -35.9(5) ?
    Tl1 O2 C1 N1 . . . . 13.2(13) ?
    Tl1 O2 C1 N1 2_546 . . . -106.2(10) ?
    Tl1 O2 C1 N1 2_556 . . . 162.0(7) ?
    Tl1 O2 C1 N1 1_545 . . . -38.7(10) ?
    Tl1 O2 C1 N1 1_565 . . . 79.1(11) ?
    Tl1 O2 C1 C2 . . . . -170.2(6) ?
    Tl1 O2 C1 C2 2_546 . . . 70.4(8) ?
    Tl1 O2 C1 C2 2_556 . . . -21.4(12) ?
    Tl1 O2 C1 C2 1_545 . . . 137.9(7) ?
    Tl1 O2 C1 C2 1_565 . . . -104.3(8) ?
    Tl1 O2 C1 Tl1 . . . 2_546 119.5(6) ?
    Tl1 O2 C1 Tl1 2_556 . . 2_546 -91.7(7) ?
    Tl1 O2 C1 Tl1 1_545 . . 2_546 67.6(2) ?
    Tl1 O2 C1 Tl1 1_565 . . 2_546 -174.7(6) ?
    Tl1 O2 C1 Tl1 2_546 . . . -119.5(6) ?
    Tl1 O2 C1 Tl1 2_556 . . . 148.8(10) ?
    Tl1 O2 C1 Tl1 1_545 . . . -51.9(4) ?
    Tl1 O2 C1 Tl1 1_565 . . . 65.8(5) ?
    Tl1 O2 C1 Tl1 . . . 2_556 -148.8(10) ?
    Tl1 O2 C1 Tl1 2_546 . . 2_556 91.7(7) ?
    Tl1 O2 C1 Tl1 1_545 . . 2_556 159.3(7) ?
    Tl1 O2 C1 Tl1 1_565 . . 2_556 -82.9(6) ?
    Tl1 O2 C1 Tl1 . . . 1_545 51.9(4) ?
    Tl1 O2 C1 Tl1 2_546 . . 1_545 -67.6(2) ?
    Tl1 O2 C1 Tl1 2_556 . . 1_545 -159.3(7) ?
    Tl1 O2 C1 Tl1 1_565 . . 1_545 117.8(5) ?
    O1 N1 C1 O2 . . . . 1.8(14) ?
    Tl1 N1 C1 O2 . . . . -8.4(9) ?
    Tl1 N1 C1 O2 2_546 . . . 69.4(9) ?
    Tl1 N1 C1 O2 1_545 . . . 40.0(11) ?
    O1 N1 C1 C2 . . . . -175.0(8) ?
    Tl1 N1 C1 C2 . . . . 174.8(8) ?
    Tl1 N1 C1 C2 2_546 . . . -107.4(9) ?
    Tl1 N1 C1 C2 1_545 . . . -136.8(6) ?
    O1 N1 C1 Tl1 . . . 2_546 -67.6(9) ?
    Tl1 N1 C1 Tl1 . . . 2_546 -77.8(4) ?
    Tl1 N1 C1 Tl1 1_545 . . 2_546 -29.4(5) ?
    O1 N1 C1 Tl1 . . . . 10.2(7) ?
    Tl1 N1 C1 Tl1 2_546 . . . 77.8(4) ?
    Tl1 N1 C1 Tl1 1_545 . . . 48.4(2) ?
    O1 N1 C1 Tl1 . . . 2_556 36(2) ?
    Tl1 N1 C1 Tl1 . . . 2_556 26.0(17) ?
    Tl1 N1 C1 Tl1 2_546 . . 2_556 103.8(19) ?
    Tl1 N1 C1 Tl1 1_545 . . 2_556 74.4(19) ?
    O1 N1 C1 Tl1 . . . 1_545 -38.2(6) ?
    Tl1 N1 C1 Tl1 . . . 1_545 -48.4(2) ?
    Tl1 N1 C1 Tl1 2_546 . . 1_545 29.4(5) ?
    N2 O3 N3 C3 . . . . -0.6(10) ?
    Tl1 O3 N3 C3 4_565 . . . -124.1(6) ?
    Tl1 O3 N3 C3 4_575 . . . 158.3(6) ?
    Tl1 O3 N3 C3 2_556 . . . 12.7(11) ?
    Tl1 O3 N3 C3 2_546 . . . -39.7(8) ?
    N2 O3 N3 Tl1 . . . 4_565 123.5(7) ?
    Tl1 O3 N3 Tl1 4_575 . . 4_565 -77.5(7) ?
    Tl1 O3 N3 Tl1 2_556 . . 4_565 136.8(8) ?
    Tl1 O3 N3 Tl1 2_546 . . 4_565 84.4(3) ?
    N2 O3 N3 Tl1 . . . 4_575 -158.9(12) ?
    Tl1 O3 N3 Tl1 4_565 . . 4_575 77.5(7) ?
    Tl1 O3 N3 Tl1 2_556 . . 4_575 -145.6(13) ?
    Tl1 O3 N3 Tl1 2_546 . . 4_575 161.9(10) ?
    O3 N2 C2 C3 . . . . 0.7(11) ?
    Tl1 N2 C2 C3 2_556 . . . -166.4(6) ?
    Tl1 N2 C2 C3 2_546 . . . 131.4(7) ?
    Tl1 N2 C2 C3 4_565 . . . 52.0(10) ?
    Tl1 N2 C2 C3 4_575 . . . -29(2) ?
    O3 N2 C2 C1 . . . . -175.4(8) ?
    Tl1 N2 C2 C1 2_556 . . . 17.5(11) ?
    Tl1 N2 C2 C1 2_546 . . . -44.7(8) ?
    Tl1 N2 C2 C1 4_565 . . . -124.2(7) ?
    Tl1 N2 C2 C1 4_575 . . . 154.6(11) ?
    O3 N2 C2 Tl1 . . . 2_546 -130.7(7) ?
    Tl1 N2 C2 Tl1 2_556 . . 2_546 62.2(4) ?
    Tl1 N2 C2 Tl1 4_565 . . 2_546 -79.4(5) ?
    Tl1 N2 C2 Tl1 4_575 . . 2_546 -160.6(16) ?
    O3 N2 C2 Tl1 . . . 2_556 167.1(9) ?
    Tl1 N2 C2 Tl1 2_546 . . 2_556 -62.2(4) ?
    Tl1 N2 C2 Tl1 4_565 . . 2_556 -141.7(8) ?
    Tl1 N2 C2 Tl1 4_575 . . 2_556 137.1(18) ?
    O2 C1 C2 N2 . . . . -1.5(14) ?
    N1 C1 C2 N2 . . . . 175.7(9) ?
    Tl1 C1 C2 N2 2_546 . . . 48.9(9) ?
    Tl1 C1 C2 N2 . . . . -18(2) ?
    Tl1 C1 C2 N2 2_556 . . . -13.9(9) ?
    Tl1 C1 C2 N2 1_545 . . . 95.3(11) ?
    O2 C1 C2 C3 . . . . -176.8(9) ?
    N1 C1 C2 C3 . . . . 0.4(14) ?
    Tl1 C1 C2 C3 2_546 . . . -126.4(9) ?
    Tl1 C1 C2 C3 . . . . 166.8(11) ?
    Tl1 C1 C2 C3 2_556 . . . 170.8(10) ?
    Tl1 C1 C2 C3 1_545 . . . -80.0(13) ?
    O2 C1 C2 Tl1 . . . 2_546 -50.4(7) ?
    N1 C1 C2 Tl1 . . . 2_546 126.8(8) ?
    Tl1 C1 C2 Tl1 . . . 2_546 -66.7(14) ?
    Tl1 C1 C2 Tl1 2_556 . . 2_546 -62.78(17) ?
    Tl1 C1 C2 Tl1 1_545 . . 2_546 46.4(7) ?
    O2 C1 C2 Tl1 . . . 2_556 12.4(7) ?
    N1 C1 C2 Tl1 . . . 2_556 -170.4(8) ?
    Tl1 C1 C2 Tl1 2_546 . . 2_556 62.78(17) ?
    Tl1 C1 C2 Tl1 . . . 2_556 -3.9(14) ?
    Tl1 C1 C2 Tl1 1_545 . . 2_556 109.2(8) ?
    O3 N3 C3 N4 . . . . -176.4(8) ?
    Tl1 N3 C3 N4 4_565 . . . 130.2(8) ?
    Tl1 N3 C3 N4 4_575 . . . -162.5(7) ?
    O3 N3 C3 C2 . . . . 1.0(10) ?
    Tl1 N3 C3 C2 4_565 . . . -52.4(10) ?
    Tl1 N3 C3 C2 4_575 . . . 14.8(11) ?
    Tl1 N4 C3 N3 2_646 . . . 29.1(18) ?
    Tl1 N4 C3 C2 2_646 . . . -147.8(9) ?
    N2 C2 C3 N3 . . . . -1.1(11) ?
    C1 C2 C3 N3 . . . . 174.6(9) ?
    Tl1 C2 C3 N3 2_546 . . . 85.0(10) ?
    Tl1 C2 C3 N3 2_556 . . . -27.9(19) ?
    N2 C2 C3 N4 . . . . 176.1(9) ?
    C1 C2 C3 N4 . . . . -8.2(16) ?
    Tl1 C2 C3 N4 2_546 . . . -97.8(11) ?
    Tl1 C2 C3 N4 2_556 . . . 149.3(12) ?
loop_
    _geom_hbond_atom_site_label_D
    _geom_hbond_atom_site_label_H
    _geom_hbond_atom_site_label_A
    _geom_hbond_site_symmetry_A
    _geom_hbond_distance_DH
    _geom_hbond_distance_HA
    _geom_hbond_distance_DA
    _geom_hbond_angle_DHA
    _geom_hbond_publ_flag
    N4 H4A N3 3_656 0.93 2.23 3.156(10) 169.4 yes
    N4 H4B N1 2_646 1.01 2.65 3.256(13) 118.4 yes
_shelx_space_group_comment
;
The symmetry employed for this shelxl refinement is uniquely defined
by the following loop, which should always be used as a source of
symmetry information in preference to the above space-group names.
They are only intended as comments.
;
_shelx_estimated_absorpt_T_min     ?
_shelx_estimated_absorpt_T_max     ?
