Intense greenish phosphorescence emission under ambient condition in a two−dimensional lead(II) coordination polymer with 1,1'-ethynebenzene-3, 3', 5, 5'−tetracarboxylate ligand
Zhai, Lu; Liu, Xiao; Zhang, Wen-Wei; Zuo, Jing-Lin; Yang, Zhu Xi; Ren, Xiaoming; Dalton Trans.  (2017) –; doi:10.1039/C7DT01626C

data_7043152
_publ_section_title
;
 Intense greenish phosphorescence emission under ambient condition in a
 two&#x2212;dimensional lead(II) coordination polymer with
 1,1'-ethynebenzene-3, 3', 5, 5'&#x2212;tetracarboxylate ligand
;
_journal_name_full               'Dalton Trans.'
_journal_paper_doi               10.1039/C7DT01626C
_journal_year                    2017
_chemical_formula_sum            'C24 H24 O11 Pb2 S3'
_chemical_formula_weight         998.99
_space_group_crystal_system      monoclinic
_space_group_IT_number           12
_space_group_name_Hall           '-C 2y'
_space_group_name_H-M_alt        'C 1 2/m 1'
_symmetry_space_group_name_Hall  '-C 2y'
_symmetry_space_group_name_H-M   'C 1 2/m 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2016-09-21 deposited with the CCDC.
2017-05-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 92.954(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   32.541(3)
_cell_length_b                   10.2204(8)
_cell_length_c                   8.0517(7)
_cell_measurement_reflns_used    9892
_cell_measurement_temperature    123(2)
_cell_measurement_theta_max      27.57
_cell_measurement_theta_min      2.88
_cell_volume                     2674.3(4)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker APEX2'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014 (Sheldrick 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      123(2)
_diffrn_measured_fraction_theta_full 0.988
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Bruker APEX-II CCD'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0361
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.983
_diffrn_reflns_limit_h_max       42
_diffrn_reflns_limit_h_min       -42
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       10
_diffrn_reflns_limit_l_min       -10
_diffrn_reflns_number            14484
_diffrn_reflns_point_group_measured_fraction_full 0.988
_diffrn_reflns_point_group_measured_fraction_max 0.983
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.565
_diffrn_reflns_theta_min         2.884
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    12.870
_exptl_absorpt_correction_T_max  0.965
_exptl_absorpt_correction_T_min  0.876
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_density_diffrn    2.481
_exptl_crystal_F_000             1872
_exptl_crystal_size_max          0.270
_exptl_crystal_size_mid          0.210
_exptl_crystal_size_min          0.180
_refine_diff_density_max         2.705
_refine_diff_density_min         -3.765
_refine_diff_density_rms         0.589
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.096
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     229
_refine_ls_number_reflns         3208
_refine_ls_number_restraints     96
_refine_ls_restrained_S_all      1.107
_refine_ls_R_factor_all          0.0639
_refine_ls_R_factor_gt           0.0611
_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^)+(0.1491P)^2^+64.9865P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2014
_refine_ls_wR_factor_ref         0.2060
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3002
_reflns_number_total             3208
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c7dt01626c2.cif
_cod_data_source_block           pb
_cod_database_code               7043152
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.129
_shelx_estimated_absorpt_t_max   0.205
_shelx_res_checksum              49465