Dual stimuli-responsive phosphorescence of a Pb(II) coordination polymer to acidic vapors and thermal treatment.
Tunsrichon, Sujitra; Chainok, Kittipong; Promarak, Vinich; Arunlimsawat, Suangsiri; Youngme, Sujittra; Boonmak, Jaursup; Dalton transactions (Cambridge, England : 2003) 52 (2023) 2209–2213; doi:10.1039/d2dt04087e

data_7712255
_publ_section_title
;
 Dual stimuli-responsive phosphorescence of a Pb(II) coordination polymer
 to acidic vapors and thermal treatment.
;
_journal_issue                   8
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              2209
_journal_page_last               2213
_journal_paper_doi               10.1039/d2dt04087e
_journal_volume                  52
_journal_year                    2023
_chemical_formula_moiety         'C14 H10 N6 O3 Pb S2'
_chemical_formula_sum            'C14 H10 N6 O3 Pb S2'
_chemical_formula_weight         581.60
_chemical_name_common
catena-(bis(\^I1/43-5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolato-N,N,S))-(5-(3-pyridyl)-1,3,4-oxadiazole-2-thiolato-S)-aqua-lead(ii))
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2022-12-01 deposited with the CCDC.	2023-02-01 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 101.5170(10)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   11.2475(2)
_cell_length_b                   7.56440(10)
_cell_length_c                   20.2712(4)
_cell_measurement_reflns_used    9828
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      29.605
_cell_measurement_theta_min      2.8815
_cell_volume                     1689.96(5)
_computing_cell_refinement       'SAINT V8.40B (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
_computing_data_reduction        'SAINT V8.40B (Bruker, 2016)'
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Bruker D8 QUEST CMOS'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0382
_diffrn_reflns_av_unetI/netI     0.0205
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.997
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       28
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            53751
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.997
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         29.619
_diffrn_reflns_theta_min         2.881
_diffrn_source                   'sealed x-ray tube'
_exptl_absorpt_coefficient_mu    10.260
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.286
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       rod
_exptl_crystal_F_000             1096
_exptl_crystal_preparation       Luminescent
_exptl_transmission_factor_max   0.7459
_exptl_transmission_factor_min   0.3860
_refine_diff_density_max         0.834
_refine_diff_density_min         -1.092
_refine_diff_density_rms         0.134
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.089
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     236
_refine_ls_number_reflns         4748
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.089
_refine_ls_R_factor_all          0.0290
_refine_ls_R_factor_gt           0.0224
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0207P)^2^+2.1793P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0518
_refine_ls_wR_factor_ref         0.0547
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3953
_reflns_number_total             4748
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d2dt04087e2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7712255.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               7712255
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              22865
_shelx_hkl_checksum              15010