A lead(ii) supramolecular coordination polymer, obtained from polydonor N′-(amino(pyrazin-2-yl)methylene)thiosemicarbazide, stabilized by tetrel bonds and other non-covalent interactions
Mahmoudi, Ghodrat; Garcia-Santos, Isabel; Iglesias-Pereiro, Tamara; Castiñeiras, Alfonso; Gurbanov, Atash V.; Tutar, Ömer Faruk; Zangrando, Ennio; Panova, Elizaveta V.; Frontera, Antonio; Safin, Damir A.; CrystEngComm 28 (2026) 1383–1393; doi:10.1039/D6CE00003G

data_7251523
_publ_section_title
;
 A lead(ii) supramolecular coordination polymer, obtained from polydonor
 N&#x2032;-(amino(pyrazin-2-yl)methylene)thiosemicarbazide, stabilized by
 tetrel bonds and other non-covalent interactions
;
_journal_issue                   8
_journal_name_full               CrystEngComm
_journal_page_first              1383
_journal_page_last               1393
_journal_paper_doi               10.1039/D6CE00003G
_journal_volume                  28
_journal_year                    2026
_chemical_formula_moiety         'C13 H18 Cl N13 O7 Pb2 S2'
_chemical_formula_sum            'C13 H18 Cl N13 O7 Pb2 S2'
_chemical_formula_weight         982.35
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2025-11-13 deposited with the CCDC.	2026-02-03 downloaded from the CCDC.
;
_cell_angle_alpha                64.981(2)
_cell_angle_beta                 77.088(2)
_cell_angle_gamma                85.954(2)
_cell_formula_units_Z            2
_cell_length_a                   9.7827(4)
_cell_length_b                   11.0949(5)
_cell_length_c                   12.8327(6)
_cell_measurement_reflns_used    9626
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      30.62
_cell_measurement_theta_min      2.73
_cell_volume                     1229.78(10)
_computing_cell_refinement       'APEX4 Software (Bruker, 2021)'
_computing_data_collection       'APEX4 Software (Bruker, 2021)'
_computing_data_reduction        'APEX4 Software (Bruker, 2021)'
_computing_molecular_graphics
'Diamond (Brandenburg, 1999, Crystal impact GbR)'
_computing_publication_material  'Wingx Version 2018.3 (Farrugia, 2012)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'Bruker D8 VENTURE PHOTON III-14'
_diffrn_measurement_method       'omega and phi'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0371
_diffrn_reflns_av_unetI/netI     0.0185
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       18
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            78327
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         30.506
_diffrn_reflns_theta_min         2.137
_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    14.016
_exptl_absorpt_correction_T_max  1.000
_exptl_absorpt_correction_T_min  0.692
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
_exptl_crystal_density_diffrn    2.653
_exptl_crystal_description       prism
_exptl_crystal_F_000             912
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.060
_exptl_crystal_size_min          0.040
_refine_diff_density_max         0.594
_refine_diff_density_min         -0.720
_refine_diff_density_rms         0.121
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.064
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     370
_refine_ls_number_reflns         7500
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.064
_refine_ls_R_factor_all          0.0197
_refine_ls_R_factor_gt           0.0149
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0008P)^2^+2.1481P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0272
_refine_ls_wR_factor_ref         0.0284
_reflns_Friedel_coverage         0.000
_reflns_number_gt                6734
_reflns_number_total             7500
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d6ce00003g1.cif
_cod_data_source_block           3
_cod_depositor_comments          'Adding full bibliography for 7251523.cif.'
_cod_database_code               7251523
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.335
_shelx_estimated_absorpt_t_max   0.604
_shelx_res_checksum              60038