Layer-structured lanthanide coordination polymers constructed from 3,5-bis(3,5-dicarboxylphenyl)-pyridine ligand as fluorescent probe for nitroaromatics and metal ions
Shi, Xiangxiang; Fan, Yong; Xu, Jianing; Qi, Hui; Chai, Juan; Sun, Jing; Jin, Haoqing; Chen, Xiaodong; Zhang, Ping; Wang, Li; Inorganica Chimica Acta 483 (2018) 473–479; doi:10.1016/j.ica.2018.08.050

data_1563883
_publ_section_title
;
 Layer-structured lanthanide coordination polymers constructed from
 3,5-bis(3,5-dicarboxylphenyl)-pyridine ligand as fluorescent probe for
 nitroaromatics and metal ions
;
_journal_name_full               'Inorganica Chimica Acta'
_journal_page_first              473
_journal_page_last               479
_journal_paper_doi               10.1016/j.ica.2018.08.050
_journal_volume                  483
_journal_year                    2018
_chemical_formula_sum            'C21 H0 N O10 Tb'
_chemical_formula_weight         585.14
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                81.64(3)
_cell_angle_beta                 70.32(3)
_cell_angle_gamma                68.73(3)
_cell_formula_units_Z            2
_cell_length_a                   10.033(2)
_cell_length_b                   10.910(2)
_cell_length_c                   11.553(2)
_cell_measurement_reflns_used    10645
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.43
_cell_measurement_theta_min      3.38
_cell_volume                     1109.2(5)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  Bruker
_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  0.0319
_diffrn_reflns_av_sigmaI/netI    0.0416
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            10645
_diffrn_reflns_theta_full        27.43
_diffrn_reflns_theta_max         27.43
_diffrn_reflns_theta_min         3.38
_exptl_absorpt_coefficient_mu    3.243
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.752
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             556
_exptl_crystal_size_max          0.1
_exptl_crystal_size_mid          0.1
_exptl_crystal_size_min          0.1
_refine_diff_density_max         9.432
_refine_diff_density_min         -0.792
_refine_diff_density_rms         0.339
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.886
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     298
_refine_ls_number_reflns         4978
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.886
_refine_ls_R_factor_all          0.0697
_refine_ls_R_factor_gt           0.0660
_refine_ls_shift/su_max          0.054
_refine_ls_shift/su_mean         0.012
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.1000P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2249
_refine_ls_wR_factor_ref         0.2292
_reflns_number_gt                4593
_reflns_number_total             4978
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ICA-2017-483-473.cif
_cod_data_source_block           Tb
_cod_original_cell_volume        1109.2(4)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               1563883