Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from anion-guided self-assembly to structural features.
Mahmoudi, Ghodrat; Afkhami, Farhad Akbari; Kennedy, Alan R.; Zubkov, Fedor I.; Zangrando, Ennio; Kirillov, Alexander M.; Molins, Elies; Mitoraj, Mariusz P.; Safin, Damir A.; Dalton transactions (Cambridge, England : 2003) 49 (2020) 11238–11248; doi:10.1039/d0dt01704c

data_7704879
_publ_section_title
;
 Lead(ii) coordination polymers driven by pyridine-hydrazine donors: from
 anion-guided self-assembly to structural features.
;
_journal_issue                   32
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              11238
_journal_page_last               11248
_journal_paper_doi               10.1039/d0dt01704c
_journal_volume                  49
_journal_year                    2020
_chemical_formula_moiety         'C8 H5 N4 Pb S2'
_chemical_formula_sum            'C8 H5 N4 Pb S2'
_chemical_formula_weight         428.48
_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   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2020-03-25 deposited with the CCDC.	2020-07-17 downloaded from the CCDC.
;
_cell_angle_alpha                75.4600(10)
_cell_angle_beta                 82.1480(10)
_cell_angle_gamma                77.4340(10)
_cell_formula_units_Z            2
_cell_length_a                   6.7965(5)
_cell_length_b                   7.1870(6)
_cell_length_c                   11.8200(9)
_cell_measurement_reflns_used    2274
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      26.55
_cell_measurement_theta_min      2.01
_cell_volume                     543.43(7)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.976
_diffrn_measurement_device_type  'Bruker SMART1000 CCD'
_diffrn_measurement_method       '\f and \w 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  0.0350
_diffrn_reflns_av_unetI/netI     0.0485
_diffrn_reflns_Laue_measured_fraction_full 0.997
_diffrn_reflns_Laue_measured_fraction_max 0.976
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -8
_diffrn_reflns_limit_k_max       9
_diffrn_reflns_limit_k_min       -9
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5450
_diffrn_reflns_point_group_measured_fraction_full 0.997
_diffrn_reflns_point_group_measured_fraction_max 0.976
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         28.359
_diffrn_reflns_theta_min         1.787
_exptl_absorpt_coefficient_mu    15.876
_exptl_absorpt_correction_T_max  0.1152
_exptl_absorpt_correction_T_min  0.0752
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS-2008/1, Bruker'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    2.619
_exptl_crystal_description       block
_exptl_crystal_F_000             390
_exptl_crystal_size_max          0.400
_exptl_crystal_size_mid          0.350
_exptl_crystal_size_min          0.300
_refine_diff_density_max         1.652
_refine_diff_density_min         -2.625
_refine_diff_density_rms         0.261
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.104
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     136
_refine_ls_number_reflns         2662
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.104
_refine_ls_R_factor_all          0.0352
_refine_ls_R_factor_gt           0.0318
_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^)+(0.0546P)^2^+0.1990P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0897
_refine_ls_wR_factor_ref         0.0928
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2442
_reflns_number_total             2662
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d0dt01704c1.cif
_cod_data_source_block           1
_cod_depositor_comments
'Adding full bibliography for 7704876--7704879.cif.'
_cod_database_code               7704879
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.061
_shelx_estimated_absorpt_t_max   0.087
_shelx_res_checksum              26142