Effective and efficient photoluminescence of salicylate-ligating terbium(III) clusters stabilized by multiple phenyl-phenyl interactions.
Manseki, Kazuhiro; Yanagida, Shozo; Chemical communications (Cambridge, England)  (2007) 1242–1244; doi:10.1039/b616387d

data_7101806
_publ_section_title
;
 Effective and efficient photoluminescence of salicylate-ligating
 terbium(III) clusters stabilized by multiple phenyl-phenyl
 interactions.
;
_journal_issue                   12
_journal_name_full
'Chemical communications (Cambridge, England)'
_journal_page_first              1242
_journal_page_last               1244
_journal_paper_doi               10.1039/b616387d
_journal_year                    2007
_chemical_formula_moiety         'Tb9 C208 H282 O58 1+, N1 O3 1-'
_chemical_formula_sum            'C208 H282 N O61 Tb9'
_chemical_formula_weight         5202.76
_space_group_IT_number           86
_symmetry_cell_setting           tetragonal
_symmetry_space_group_name_Hall  '-P 4bc'
_symmetry_space_group_name_H-M   'P 42/n :2'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   24.505(2)
_cell_length_b                   24.505(2)
_cell_length_c                   36.170(3)
_cell_measurement_reflns_used    123418
_cell_measurement_temperature    93.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.0
_cell_volume                     21721(3)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.7.0'
_computing_structure_refinement  SHELXL
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Rigaku RAXIS-RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.075
_diffrn_reflns_limit_h_max       29
_diffrn_reflns_limit_h_min       -29
_diffrn_reflns_limit_k_max       29
_diffrn_reflns_limit_k_min       -29
_diffrn_reflns_limit_l_max       41
_diffrn_reflns_limit_l_min       -43
_diffrn_reflns_number            163502
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    2.964
_exptl_absorpt_correction_T_max  0.888
_exptl_absorpt_correction_T_min  0.497
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
Higashi, T. (1995). Program for Absorption Correction.
Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.610
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       needle
_exptl_crystal_F_000             10584.00
_exptl_crystal_size_max          0.20
_exptl_crystal_size_mid          0.07
_exptl_crystal_size_min          0.04
_refine_diff_density_max         1.24
_refine_diff_density_min         -1.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.032
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1232
_refine_ls_number_reflns         19864
_refine_ls_number_restraints     453
_refine_ls_R_factor_gt           0.0446
_refine_ls_shift/su_max          0.0020
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0641P)^2^+63.2415P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1241
_reflns_number_gt                15123
_reflns_number_total             19864
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ccdc_626753_cif.txt
_cod_data_source_block           compound_1
_cod_original_sg_symbol_H-M      'P 42/n'
_cod_original_formula_sum        'C208 H282 N O61 Tb9 '
_cod_database_code               7101806