Enhanced Near-Infrared−Luminescence in an Erbium Tetrafluoroterephthalate Framework
Chen, Banglin; Yang, Yu; Zapata, Fatima; Qian, Guodong; Luo, Yongshi; Zhang, Jiahua; Lobkovsky, Emil B.; Inorganic Chemistry 45 (2006) 8882–8886; doi:10.1021/ic060568u

data_4332624
_publ_section_title
;
 Enhanced Near-Infrared&#x2212;Luminescence in an Erbium
 Tetrafluoroterephthalate Framework
;
_journal_issue                   22
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              8882
_journal_page_last               8886
_journal_paper_doi               10.1021/ic060568u
_journal_volume                  45
_journal_year                    2006
_chemical_formula_moiety         'C37 H9 Er2 F12 N O14'
_chemical_formula_sum            'C30 H16 Er2 F12 N2 O15'
_chemical_formula_weight         1206.97
_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   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                110.633(7)
_cell_angle_beta                 99.920(6)
_cell_angle_gamma                101.351(6)
_cell_formula_units_Z            2
_cell_length_a                   11.6710(18)
_cell_length_b                   11.8916(19)
_cell_length_c                   14.305(2)
_cell_measurement_temperature    173(2)
_cell_volume                     1757.4(5)
_computing_cell_refinement       SAINT+
_computing_data_collection       APEX2
_computing_data_reduction        SAINT+
_computing_molecular_graphics    SHELXTL
_computing_publication_material  SHELXTL
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      173(2)
_diffrn_measured_fraction_theta_full 0.966
_diffrn_measured_fraction_theta_max 0.966
_diffrn_measurement_device_type  'Bruker X8 APEX II diffractomreter'
_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  0.0270
_diffrn_reflns_av_sigmaI/netI    0.0273
_diffrn_reflns_limit_h_max       15
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       16
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       19
_diffrn_reflns_limit_l_min       -19
_diffrn_reflns_number            34644
_diffrn_reflns_theta_full        29.57
_diffrn_reflns_theta_max         29.57
_diffrn_reflns_theta_min         1.58
_exptl_absorpt_coefficient_mu    4.882
_exptl_absorpt_correction_T_max  0.5279
_exptl_absorpt_correction_T_min  0.3221
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    2.281
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1148
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.15
_refine_diff_density_max         2.925
_refine_diff_density_min         -1.684
_refine_diff_density_rms         0.171
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     558
_refine_ls_number_reflns         9527
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0309
_refine_ls_R_factor_gt           0.0266
_refine_ls_shift/su_max          0.003
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0168P)^2^+13.8967P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0753
_refine_ls_wR_factor_ref         0.0768
_reflns_number_gt                8430
_reflns_number_total             9527
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic060568usup2.cif
_cod_data_source_block           2
_cod_original_sg_symbol_H-M      P-1
_cod_database_code               4332624