A highly efficient lanthanide coordination polymer luminescent material for the multi-task detection of environmental pollutants.
Wang, Xin; He, Shunsheng; Chen, Jun; Wei, Jiamin; Chen, Chaoyue; Shi, Wenyan; Wu, Dayu; Fu, Lianshe; Yang, Tinghai; Dalton transactions (Cambridge, England : 2003) 53 (2023) 276–284; doi:10.1039/d3dt03218c

data_7714544
_publ_section_title
;
 A highly efficient lanthanide coordination polymer luminescent material
 for the multi-task detection of environmental pollutants.
;
_journal_issue                   1
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              276
_journal_page_last               284
_journal_paper_doi               10.1039/d3dt03218c
_journal_volume                  53
_journal_year                    2023
_chemical_formula_moiety         '2(C16 H22 N4 O20 Tb2), 4(H O0.50)'
_chemical_formula_sum            'C32 H50 N8 O43 Tb4'
_chemical_formula_weight         1870.48
_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   mixed
_audit_creation_method           SHELXL-2018/3
_audit_update_record
;
2023-04-11 deposited with the CCDC.	2023-11-21 downloaded from the CCDC.
;
_cell_angle_alpha                78.2750(19)
_cell_angle_beta                 79.5600(17)
_cell_angle_gamma                72.4270(19)
_cell_formula_units_Z            1
_cell_length_a                   8.0598(9)
_cell_length_b                   11.6244(12)
_cell_length_c                   15.0918(16)
_cell_measurement_reflns_used    5480
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      27.52
_cell_measurement_theta_min      2.67
_cell_volume                     1308.9(2)
_computing_structure_refinement  'SHELXL-2018/3 (Sheldrick, 2018)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.977
_diffrn_measured_fraction_theta_max 0.978
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0180
_diffrn_reflns_av_unetI/netI     0.0320
_diffrn_reflns_Laue_measured_fraction_full 0.977
_diffrn_reflns_Laue_measured_fraction_max 0.978
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       7
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       17
_diffrn_reflns_limit_l_min       -18
_diffrn_reflns_number            7630
_diffrn_reflns_point_group_measured_fraction_full 0.977
_diffrn_reflns_point_group_measured_fraction_max 0.978
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.496
_diffrn_reflns_theta_min         1.390
_exptl_absorpt_coefficient_mu    5.467
_exptl_absorpt_correction_T_max  0.761
_exptl_absorpt_correction_T_min  0.728
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS(Bruker, 2000)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.373
_exptl_crystal_description       block
_exptl_crystal_F_000             902
_exptl_crystal_size_max          0.100
_exptl_crystal_size_mid          0.050
_exptl_crystal_size_min          0.050
_refine_diff_density_max         0.946
_refine_diff_density_min         -0.982
_refine_diff_density_rms         0.156
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.092
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     397
_refine_ls_number_reflns         4771
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.092
_refine_ls_R_factor_all          0.0277
_refine_ls_R_factor_gt           0.0233
_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^)+(0.0405P)^2^+2.6400P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0685
_refine_ls_wR_factor_ref         0.0753
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4242
_reflns_number_total             4771
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d3dt03218c2.cif
_cod_data_source_block           1
_cod_depositor_comments          'Adding full bibliography for 7714544.cif.'
_cod_database_code               7714544
_shelx_shelxl_version_number     2018/3
_shelx_estimated_absorpt_t_min   0.611
_shelx_estimated_absorpt_t_max   0.772
_shelx_res_checksum              40660
_shelx_hkl_checksum              65326