Coordination-Driven Nanosized Lanthanide "Molecular Lantern" with Tunable Luminescent Properties
Yu-Bin Dong; Peng Wang; Jian-Ping Ma; Xia-Xia Zhao; Hai-Ying Wang; Bo Tang; Ru-Qi Huang; Journal of the American Chemical Society 129 (2007) 4872–4873; doi:10.1021/ja070058e

data_4109336
_publ_section_title
;
 Coordination-Driven Nanosized Lanthanide "Molecular Lantern" with Tunable
 Luminescent Properties
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              4872
_journal_page_last               4873
_journal_paper_doi               10.1021/ja070058e
_journal_volume                  129
_journal_year                    2007
_chemical_formula_sum            'C64 H64 Cl N16 O28 Tb3'
_chemical_formula_weight         2017.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           87
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-I 4'
_symmetry_space_group_name_H-M   'I 4/m'
_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            2
_cell_length_a                   11.3002(6)
_cell_length_b                   11.3002(6)
_cell_length_c                   27.361(3)
_cell_measurement_reflns_used    5699
_cell_measurement_temperature    298(2)
_cell_measurement_theta_max      28.199
_cell_measurement_theta_min      2.549
_cell_volume                     3493.8(5)
_computing_cell_refinement       'Bruker SMART'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      298(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  'CCD area detector'
_diffrn_measurement_method       'phi and omega 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  0.0231
_diffrn_reflns_av_sigmaI/netI    0.0165
_diffrn_reflns_limit_h_max       7
_diffrn_reflns_limit_h_min       -13
_diffrn_reflns_limit_k_max       13
_diffrn_reflns_limit_k_min       -13
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -32
_diffrn_reflns_number            9246
_diffrn_reflns_theta_full        25.15
_diffrn_reflns_theta_max         25.15
_diffrn_reflns_theta_min         1.95
_exptl_absorpt_coefficient_mu    3.141
_exptl_absorpt_correction_T_max  0.7872
_exptl_absorpt_correction_T_min  0.5723
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   sadabs
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.918
_exptl_crystal_description       prism
_exptl_crystal_F_000             1992
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.14
_exptl_crystal_size_min          0.08
_refine_diff_density_max         2.837
_refine_diff_density_min         -1.501
_refine_diff_density_rms         0.151
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.055
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     138
_refine_ls_number_reflns         1607
_refine_ls_number_restraints     8
_refine_ls_restrained_S_all      1.088
_refine_ls_R_factor_all          0.0394
_refine_ls_R_factor_gt           0.0375
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0537P)^2^+46.6448P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1009
_refine_ls_wR_factor_ref         0.1024
_reflns_number_gt                1518
_reflns_number_total             1607
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja070058esi20070309_125621.cif
_cod_data_source_block           5
_cod_original_cell_volume        3493.9(4)
_cod_database_code               4109336