The effects of the coordination orientation and steric hindrance of ligands on the structural diversity of Pb(II) coordination polymers
Hui, Yuan-Yuan; Bai, Chao; Hu, Huai-Ming; Lv, Bei; Wang, Xiaofang; Inorganica Chimica Acta 510 (2020) 119751–; doi:10.1016/j.ica.2020.119751

data_1564402
_publ_section_title
;
 The effects of the coordination orientation and steric hindrance of
 ligands on the structural diversity of Pb(II) coordination polymers
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              119751
_journal_paper_doi               10.1016/j.ica.2020.119751
_journal_volume                  510
_journal_year                    2020
_chemical_formula_moiety         'C26 H14 N2 O8 Pb2, 0.15(O2), 0.7(O)'
_chemical_formula_sum            'C26 H14 N2 O9 Pb2'
_chemical_formula_weight         912.77
_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
_cell_angle_alpha                104.153(2)
_cell_angle_beta                 106.688(2)
_cell_angle_gamma                90.399(2)
_cell_formula_units_Z            2
_cell_length_a                   9.2994(13)
_cell_length_b                   10.7126(14)
_cell_length_c                   12.8707(17)
_cell_measurement_reflns_used    3181
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      26.41
_cell_measurement_theta_min      2.29
_cell_volume                     1186.8(3)
_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, 2008)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0291
_diffrn_reflns_av_unetI/netI     0.0542
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       11
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       12
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_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            5941
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.988
_diffrn_reflns_theta_full        25.047
_diffrn_reflns_theta_max         25.047
_diffrn_reflns_theta_min         1.967
_diffrn_source                   'fine-focus sealed tube'
_exptl_absorpt_coefficient_mu    14.230
_exptl_absorpt_correction_T_max  0.104
_exptl_absorpt_correction_T_min  0.072
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            red
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_exptl_crystal_description       block
_exptl_crystal_F_000             840
_exptl_crystal_size_max          0.20
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_refine_diff_density_max         1.831
_refine_diff_density_min         -2.808
_refine_diff_density_rms         0.230
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     361
_refine_ls_number_reflns         4149
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.014
_refine_ls_R_factor_all          0.0420
_refine_ls_R_factor_gt           0.0353
_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^)+(0.0530P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0900
_refine_ls_wR_factor_ref         0.0932
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3532
_reflns_number_total             4149
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            compound3.cif
_cod_data_source_block           nw2125_0m
_cod_database_code               1564402
_shelx_shelxl_version_number     2014/7
_shelx_res_checksum              36531
_shelx_hkl_checksum              16374