Enhancement of Optical Faraday Effect of Nonanuclear Tb(III) Complexes.
Nakanishi, Takayuki; Suzuki, Yuki; Doi, Yoshihiro; Seki, Tomohiro; Koizumi, Hitoshi; Fushimi, Koji; Fujita, Koji; Hinatsu, Yukio; Ito, Hajime; Tanaka, Katsuhisa; Hasegawa, Yasuchika; Inorganic chemistry 53 (2014) 7635–7641; doi:10.1021/ic5009363

data_4340041
_publ_section_title
;
 Enhancement of Optical Faraday Effect of Nonanuclear Tb(III) Complexes.
;
_journal_issue                   14
_journal_name_full               'Inorganic chemistry'
_journal_page_first              7635
_journal_page_last               7641
_journal_paper_doi               10.1021/ic5009363
_journal_volume                  53
_journal_year                    2014
_chemical_formula_moiety         'C128 H112 N O61 Tb9'
_chemical_formula_sum            'C128 H112 N O61 Tb9'
_chemical_formula_weight         4070.59
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_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
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0205(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   21.5343(4)
_cell_length_b                   33.2157(7)
_cell_length_c                   21.7860(4)
_cell_measurement_reflns_used    64832
_cell_measurement_temperature    123
_cell_measurement_theta_max      27.47
_cell_measurement_theta_min      3.02
_cell_volume                     15583.0(5)
_computing_cell_refinement       'RAPID AUTO'
_computing_data_collection       'RAPID AUTO (Rigaku, ????)'
_computing_data_reduction        'RAPID AUTO'
_computing_molecular_graphics    'CrystalStructure 4.1'
_computing_publication_material  'CrystalStructure 4.1 (Rigaku, 2013)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'Il Milione (Burla, et al., 2007)'
_diffrn_ambient_temperature      123
_diffrn_detector_area_resol_mean 10.000
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.1273
_diffrn_reflns_limit_h_max       25
_diffrn_reflns_limit_h_min       -25
_diffrn_reflns_limit_k_max       39
_diffrn_reflns_limit_k_min       -39
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            119678
_diffrn_reflns_theta_full        25.00
_diffrn_reflns_theta_max         25.00
_diffrn_reflns_theta_min         3.02
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    4.102
_exptl_absorpt_correction_T_max  0.637
_exptl_absorpt_correction_T_min  0.178
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'ABSCOR (Rigaku, 1995)'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.735
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             7840.00
_exptl_crystal_size_max          0.150
_exptl_crystal_size_mid          0.110
_exptl_crystal_size_min          0.110
_platon_squeeze_details
;
;
_refine_diff_density_max         0.98
_refine_diff_density_min         -1.42
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.035
_refine_ls_hydrogen_treatment    constr
_refine_ls_number_parameters     1845
_refine_ls_number_reflns         27342
_refine_ls_number_restraints     2260
_refine_ls_R_factor_gt           0.0657
_refine_ls_shift/su_max          0.034
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.0657P)^2^+2.8849P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1574
_reflns_number_gt                17326
_reflns_number_total             27342
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic5009363_si_002.cif
_cod_data_source_block           Nakanishi
_cod_depositor_comments
'Adding full bibliography for 4340041--4340042.cif.'
_cod_database_code               4340041