Anion Dependent Self-Assembly of "Tetra-Decker" and "Triple-Decker" Luminescent Tb(III) Salen Complexes
Xiaoping Yang; Richard A. Jones; Journal of the American Chemical Society 127 (2005) 7686–7687; doi:10.1021/ja051292c

data_4111731
_publ_section_title
;
 Anion Dependent Self-Assembly of "Tetra-Decker" and "Triple-Decker"
 Luminescent Tb(III) Salen Complexes
;
_journal_name_full               'Journal of the American Chemical Society'
_journal_page_first              7686
_journal_page_last               7687
_journal_paper_doi               10.1021/ja051292c
_journal_volume                  127
_journal_year                    2005
_chemical_formula_sum            'C78 H78 Br6 Cl N6 O20 Tb3'
_chemical_formula_weight         2411.14
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_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                 114.69(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   20.211(4)
_cell_length_b                   22.089(4)
_cell_length_c                   20.519(4)
_cell_measurement_reflns_used    CCD
_cell_measurement_temperature    153(1)
_cell_volume                     8323(3)
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      153(1)
_diffrn_measured_fraction_theta_full 0.980
_diffrn_measured_fraction_theta_max 0.980
_diffrn_measurement_device_type  CCD
_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  0.1110
_diffrn_reflns_av_sigmaI/netI    0.1946
_diffrn_reflns_limit_h_max       26
_diffrn_reflns_limit_h_min       -26
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -28
_diffrn_reflns_limit_l_max       26
_diffrn_reflns_limit_l_min       -26
_diffrn_reflns_number            27717
_diffrn_reflns_theta_full        27.57
_diffrn_reflns_theta_max         27.57
_diffrn_reflns_theta_min         2.97
_exptl_absorpt_coefficient_mu    5.507
_exptl_absorpt_correction_T_max  0.7621
_exptl_absorpt_correction_T_min  0.3820
_exptl_absorpt_correction_type   gaussian
_exptl_crystal_colour            Yellow
_exptl_crystal_density_diffrn    1.919
_exptl_crystal_description       Block
_exptl_crystal_F_000             4656
_exptl_crystal_size_max          0.17
_exptl_crystal_size_mid          0.15
_exptl_crystal_size_min          0.08
_refine_diff_density_max         1.377
_refine_diff_density_min         -1.270
_refine_diff_density_rms         0.271
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     1028
_refine_ls_number_reflns         17651
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.1851
_refine_ls_R_factor_gt           0.0814
_refine_ls_shift/su_max          0.031
_refine_ls_shift/su_mean         0.002
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0590P)^2^+133.6076P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1519
_refine_ls_wR_factor_ref         0.1899
_reflns_number_gt                9240
_reflns_number_total             17651
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ja051292csi20050307_024452.cif
_cod_data_source_block           Tb3L3
_cod_database_code               4111731