Construction of Eu(III)- and Tb(III)-MOFs with photoluminescence for sensing small molecules based on furan-2,5-dicarboxylic acid
Zhao, Shuai; Hao, Xue-Min; Liu, Jia-Lin; Wu, Lin-Wei; Wang, Hao; Wu, Yi-Bo; Yang, Dan; Guo, Wen-Li; Journal of Solid State Chemistry 255 (2017) 76–81; doi:10.1016/j.jssc.2017.07.039

data_1560343
_publ_section_title
;
 Construction of Eu(III)- and Tb(III)-MOFs with photoluminescence for
 sensing small molecules based on furan-2,5-dicarboxylic acid
;
_journal_name_full               'Journal of Solid State Chemistry'
_journal_page_first              76
_journal_page_last               81
_journal_paper_doi               10.1016/j.jssc.2017.07.039
_journal_volume                  255
_journal_year                    2017
_chemical_formula_moiety         'C28 H14 K2 N5 O29 Tb3'
_chemical_formula_sum            'C28 H14 K2 N5 O29 Tb3'
_chemical_formula_weight         1439.40
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_H-M   'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_cell_angle_alpha                90.00
_cell_angle_beta                 112.17(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   25.742(5)
_cell_length_b                   10.604(2)
_cell_length_c                   16.205(3)
_cell_measurement_reflns_used    15743
_cell_measurement_temperature    296(2)
_cell_measurement_theta_max      28.6
_cell_measurement_theta_min      1.7
_cell_volume                     4096.4(16)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      296(2)
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Bruker-AXS SMART APEX2 CCD diffractometer'
_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  0.0537
_diffrn_reflns_av_sigmaI/netI    0.0555
_diffrn_reflns_limit_h_max       34
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            15354
_diffrn_reflns_theta_full        28.56
_diffrn_reflns_theta_max         28.56
_diffrn_reflns_theta_min         1.71
_exptl_absorpt_coefficient_mu    5.436
_exptl_absorpt_correction_T_max  0.3678
_exptl_absorpt_correction_T_min  0.3553
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.334
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             2728
_exptl_crystal_size_max          0.24
_exptl_crystal_size_mid          0.23
_exptl_crystal_size_min          0.23
_refine_diff_density_max         2.986
_refine_diff_density_min         -1.814
_refine_diff_density_rms         0.210
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.033
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     305
_refine_ls_number_reflns         5174
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.033
_refine_ls_R_factor_all          0.0519
_refine_ls_R_factor_gt           0.0386
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0471P)^2^+35.2257P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0975
_refine_ls_wR_factor_ref         0.1054
_reflns_number_gt                4207
_reflns_number_total             5174
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            mmc1.cif
_cod_data_source_block           2
_cod_original_cell_volume        4096.5(13)
_cod_original_sg_symbol_H-M      C2/c
_cod_database_code               1560343