On the pivotal role of tetrel bonding in the supramolecular architectures of PbII–NCS complexes with chelating thiosemicarbazide derivatives
Eftekhari-Sis, Bagher; García-Santos, Isabel; Castiñeiras, Alfonso; Mahmoudi, Ghodrat; Zangrando, Ennio; Frontera, Antonio; Safin, Damir A.; CrystEngComm 26 (2024) 1637–1646; doi:10.1039/D3CE01207G

data_7248135
_publ_section_title
;
 On the pivotal role of tetrel bonding in the supramolecular architectures
 of PbII--NCS complexes with chelating thiosemicarbazide derivatives
;
_journal_issue                   11
_journal_name_full               CrystEngComm
_journal_page_first              1637
_journal_page_last               1646
_journal_paper_doi               10.1039/D3CE01207G
_journal_volume                  26
_journal_year                    2024
_chemical_formula_moiety         'C7 H7 N7 Pb S2'
_chemical_formula_sum            'C7 H7 N7 Pb S2'
_chemical_formula_weight         460.51
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_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-11-29 deposited with the CCDC.	2024-02-12 downloaded from the CCDC.
;
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_cell_volume                     578.25(6)
_computing_cell_refinement       'APEX3 Software (Bruker, 2019)'
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_computing_data_reduction        'APEX3 Software (Bruker, 2019)'
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_computing_structure_solution    'SHELXS-2013 (Sheldrick, 2013)'
_diffrn_ambient_temperature      100(2)
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_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
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_diffrn_source                   'microfocus sealed tube'
_exptl_absorpt_coefficient_mu    14.937
_exptl_absorpt_correction_T_max  1.0000
_exptl_absorpt_correction_T_min  0.9083
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            orange
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_refine_ls_extinction_method     none
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_refine_ls_R_factor_gt           0.0206
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+1.2805P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0313
_refine_ls_wR_factor_ref         0.0337
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_reflns_number_gt                4004
_reflns_number_total             4430
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3ce01207g1.cif
_cod_data_source_block           2
_cod_depositor_comments
'Adding full bibliography for 7248133--7248135.cif.'
_cod_database_code               7248135
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.663
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_shelx_res_checksum              59268