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_1560344
_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_sum            'C28 H14 Eu3 K2 N5 O29'
_chemical_formula_weight         1418.52
_space_group_crystal_system      monoclinic
_space_group_IT_number           15
_space_group_name_Hall           '-C 2yc'
_space_group_name_H-M_alt        'C 1 2/c 1'
_atom_sites_solution_hydrogens   geom
_cell_angle_alpha                90
_cell_angle_beta                 112.05(3)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   25.853(5)
_cell_length_b                   10.531(2)
_cell_length_c                   16.312(3)
_cell_measurement_reflns_used    18031
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     4116.2(16)
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  CCD
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.1145
_diffrn_reflns_av_unetI/netI     0.0936
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.999
_diffrn_reflns_limit_h_max       33
_diffrn_reflns_limit_h_min       -33
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       21
_diffrn_reflns_limit_l_min       -21
_diffrn_reflns_number            21167
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.999
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         27.478
_diffrn_reflns_theta_min         3.079
_exptl_absorpt_coefficient_mu    4.827
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.289
_exptl_crystal_description       block
_exptl_crystal_F_000             2704
_exptl_crystal_size_max          0.240
_exptl_crystal_size_mid          0.240
_exptl_crystal_size_min          0.230
_exptl_transmission_factor_max   0.864
_exptl_transmission_factor_min   0.864
_refine_diff_density_max         2.195
_refine_diff_density_min         -2.318
_refine_diff_density_rms         0.230
_refine_ls_extinction_coef       .
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.165
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     309
_refine_ls_number_reflns         4720
_refine_ls_number_restraints     15
_refine_ls_restrained_S_all      1.165
_refine_ls_R_factor_all          0.1041
_refine_ls_R_factor_gt           0.0662
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0152P)^2^+36.7037P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0852
_refine_ls_wR_factor_ref         0.0929
_reflns_Friedel_coverage         0.000
_reflns_Friedel_fraction_full    .
_reflns_Friedel_fraction_max     .
_reflns_number_gt                3480
_reflns_number_total             4720
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            mmc5.cif
_cod_data_source_block           1
_cod_original_sg_symbol_H-M      'C 2/c'
_cod_database_code               1560344
_shelx_estimated_absorpt_t_min   0.390
_shelx_estimated_absorpt_t_max   0.403
_shelx_res_checksum              55959
_shelx_hkl_checksum              708