Circularly Polarized Luminescence of Eu(III) Complexes with Point- and Axis-Chiral Ligands Dependent on Coordination Structures
Takashi Harada; Yoko Nakano; Michiya Fujiki; Masanobu Naito; Tsuyoshi Kawai; Yasuchika Hasegawa; Inorganic Chemistry 48 (2009) 11242–11250; doi:10.1021/ic901663w

data_4303728
_publ_contact_author_email       tkawai@ms.naist.jp
_publ_contact_author_fax         +81-743-72-6170
_publ_contact_author_name        'Tsuyoshi KAWAI'
_publ_contact_author_phone       +81-743-72-6170
_publ_section_title
;
Circularly Polarized Luminescence of Eu(III) Complexes with Point- and
Axis-Chiral Ligands Dependent on Coordination Structures
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              11242
_journal_page_last               11250
_journal_paper_doi               10.1021/ic901663w
_journal_volume                  48
_journal_year                    2009
_chemical_formula_moiety         'C72 H72 Eu F9 O8 P2, H2 O '
_chemical_formula_sum            'C72 H74 Eu F9 O9 P2'
_chemical_formula_weight         1468.26
_space_group_IT_number           19
_symmetry_cell_setting           orthorhombic
_symmetry_Int_Tables_number      19
_symmetry_space_group_name_Hall  'P 2ac 2ab'
_symmetry_space_group_name_H-M   'P 21 21 21'
_cell_angle_alpha                90.0000
_cell_angle_beta                 90.0000
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.8730(6)
_cell_length_b                   18.0002(8)
_cell_length_c                   27.8180(14)
_cell_measurement_reflns_used    53872
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      25.6
_cell_measurement_theta_min      3.0
_cell_volume                     6946.6(6)
_computing_cell_refinement       PROCESS-AUTO
_computing_data_collection       PROCESS-AUTO
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  CRYSTALS
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.997
_diffrn_measured_fraction_theta_max 0.997
_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  0.156
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       21
_diffrn_reflns_limit_k_min       -21
_diffrn_reflns_limit_l_max       33
_diffrn_reflns_limit_l_min       -33
_diffrn_reflns_number            90828
_diffrn_reflns_theta_full        25.35
_diffrn_reflns_theta_max         25.35
_exptl_absorpt_coefficient_mu    1.026
_exptl_absorpt_correction_T_max  0.931
_exptl_absorpt_correction_T_min  0.422
_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    1.404
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3008.00
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.10
_exptl_crystal_size_min          0.07
_refine_diff_density_max         1.87
_refine_diff_density_min         -1.49
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  5731 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.003(15)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.119
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     913
_refine_ls_number_reflns         6473
_refine_ls_R_factor_gt           0.0455
_refine_ls_shift/su_max          0.0012
_refine_ls_structure_factor_coef F
_refine_ls_weighting_details
;
    Chebychev polynomial with 3 parameters (Carruthers & Watkin, 1979)
    2.3172    -0.4124    0.9269
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0496
_reflns_number_gt                6366
_reflns_number_total             12707
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic901663w_si_002_1.cif
_cod_data_source_block           '_Eu(TPPO)2(D-facam)3'
_cod_original_cell_volume        6946.6(5)
_cod_original_formula_sum        'C72 H74 Eu F9 O9 P2 '
_cod_database_code               4303728