Exploring Lanthanide Luminescence in Metal-Organic Frameworks: Synthesis, Structure, and Guest-Sensitized Luminescence of a Mixed Europium/Terbium-Adipate Framework and a Terbium-Adipate Framework
Daniel T. de Lill; Ana de Bettencourt-Dias; Christopher L. Cahill; Inorganic Chemistry 46 (2007) 3960–3965; doi:10.1021/ic062019u

data_4307524
_publ_contact_author_address
;
Department of Chemistry
George Washington University
725 21st Street, NW
Washington, DC 20052
;
_publ_contact_author_email       cahill@gwu.edu
_publ_contact_author_fax         202-994-5873
_publ_contact_author_name        'Christopher L. Cahill'
_publ_contact_author_phone       202-994-6959
_publ_section_title
;
Exploring Lanthanide Luminescence in Metal-Organic Frameworks: Synthesis,
Structure, and Guest-Sensitized Luminescence of a Mixed
Europium/Terbium-Adipate Framework and a Terbium-Adipate Framework
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              3960
_journal_page_last               3965
_journal_paper_doi               10.1021/ic062019u
_journal_volume                  46
_journal_year                    2007
_chemical_formula_moiety         ' C9 H14 O7 Tb, C5 H4 N '
_chemical_formula_sum            'C14 H18 N O7 Tb'
_chemical_formula_weight         471.21
_chemical_name_common            ' Tb GWMOF-6 '
_chemical_name_systematic
;
 ?
;
_space_group_IT_number           60
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2n 2ab'
_symmetry_space_group_name_H-M   'P b c n'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   21.866(3)
_cell_length_b                   7.6101(10)
_cell_length_c                   19.646(3)
_cell_measurement_reflns_used    11241
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      57.917
_cell_measurement_theta_min      4.576
_cell_volume                     3269.1(8)
_computing_cell_refinement       ' SAINT (Bruker-AXS) '
_computing_data_collection       ' SMART V5.05 (Bruker-AXS) '
_computing_data_reduction        ' SAINT (Bruker-AXS) '
_computing_molecular_graphics    ' SHELXL-97 (Sheldrick, 1997) '
_computing_publication_material  ' WINGX (Farrugia, 1998) '
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    ' SHELXS-97 (Sheldrick, 1990) '
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.986
_diffrn_measured_fraction_theta_max 0.986
_diffrn_measurement_device_type  'Bruker Apex II CCD'
_diffrn_measurement_method       'omega and Phi scans'
_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  0.1019
_diffrn_reflns_av_sigmaI/netI    0.0580
_diffrn_reflns_limit_h_max       30
_diffrn_reflns_limit_h_min       -30
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -10
_diffrn_reflns_limit_l_max       27
_diffrn_reflns_limit_l_min       -27
_diffrn_reflns_number            59735
_diffrn_reflns_theta_full        30.00
_diffrn_reflns_theta_max         30.00
_diffrn_reflns_theta_min         1.86
_exptl_absorpt_coefficient_mu    4.360
_exptl_absorpt_correction_T_max  0.916
_exptl_absorpt_correction_T_min  0.811
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            ' pale yellow '
_exptl_crystal_density_diffrn    1.915
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       ' rod '
_exptl_crystal_F_000             1840
_exptl_crystal_size_max          .10
_exptl_crystal_size_mid          .04
_exptl_crystal_size_min          .02
_refine_diff_density_max         0.818
_refine_diff_density_min         -0.823
_refine_diff_density_rms         0.165
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.007
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     235
_refine_ls_number_reflns         4714
_refine_ls_number_restraints     25
_refine_ls_restrained_S_all      1.006
_refine_ls_R_factor_all          0.0781
_refine_ls_R_factor_gt           0.0365
_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^)+(0.0201P)^2^+9.2289P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0619
_refine_ls_wR_factor_ref         0.0722
_reflns_number_gt                3035
_reflns_number_total             4714
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic062019u-file003_1.cif
_cod_data_source_block           GWMOF-6_(Tb_only)
_cod_original_cell_volume        3269.2(8)
_cod_original_sg_symbol_Hall     ' -P 2n 2ab '
_cod_database_code               4307524