White-light emitting materials with tunable luminescence based on steady Eu(iii) doping of Tb(iii) metal‒organic frameworks
Liu, Jingjuan; Sun, Wei; Liu, Zhiliang; RSC Adv. 6 (2016) 25689–; doi:10.1039/C6RA01931E

data_7224549
_publ_section_title
;
 White-light emitting materials with tunable luminescence based on steady
 Eu(iii) doping of Tb(iii) metal--organic frameworks
;
_journal_issue                   31
_journal_name_full               'RSC Adv.'
_journal_page_first              25689
_journal_paper_doi               10.1039/C6RA01931E
_journal_volume                  6
_journal_year                    2016
_chemical_formula_sum            'C56 H30 Eu2 N4 O16'
_chemical_formula_weight         1318.76
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_audit_update_record
;
2015-12-08 deposited with the CCDC.
2016-02-25 downloaded from the CCDC.
;
_cell_angle_alpha                89.934(5)
_cell_angle_beta                 78.409(5)
_cell_angle_gamma                71.845(5)
_cell_formula_units_Z            2
_cell_length_a                   11.6136(6)
_cell_length_b                   13.4816(8)
_cell_length_c                   16.2810(11)
_cell_measurement_reflns_used    3939
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      71.3660
_cell_measurement_theta_min      4.0990
_cell_volume                     2367.6(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'multiwire proportional'
_diffrn_measurement_method       'phi and omega scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0927
_diffrn_reflns_av_sigmaI/netI    0.1446
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -15
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            14745
_diffrn_reflns_theta_full        67.02
_diffrn_reflns_theta_max         67.02
_diffrn_reflns_theta_min         2.78
_exptl_absorpt_coefficient_mu    19.480
_exptl_absorpt_correction_T_max  0.3048
_exptl_absorpt_correction_T_min  0.2731
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.850
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1296
_exptl_crystal_size_max          0.09
_exptl_crystal_size_mid          0.08
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.956
_refine_diff_density_min         -1.413
_refine_diff_density_rms         0.193
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.029
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     704
_refine_ls_number_reflns         8435
_refine_ls_number_restraints     12
_refine_ls_restrained_S_all      1.029
_refine_ls_R_factor_all          0.1036
_refine_ls_R_factor_gt           0.0743
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0695P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1696
_refine_ls_wR_factor_ref         0.1981
_reflns_number_gt                5872
_reflns_number_total             8435
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c6ra01931e2.cif
_cod_data_source_block           1
_cod_original_cell_volume        2367.6(2)
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               7224549