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_4303729
_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 H70 Eu F9 O8 P2, H2 O '
_chemical_formula_sum            'C72 H72 Eu F9 O9 P2'
_chemical_formula_weight         1466.25
_space_group_IT_number           4
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      4
_symmetry_space_group_name_Hall  'P 2yb'
_symmetry_space_group_name_H-M   'P 1 21 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 97.4403(7)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   13.0722(2)
_cell_length_b                   26.5969(5)
_cell_length_c                   20.2442(4)
_cell_measurement_reflns_used    96373
_cell_measurement_temperature    103.1
_cell_measurement_theta_max      26.3
_cell_measurement_theta_min      3.0
_cell_volume                     6979.2(2)
_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    'DIRDIF99 (PATTY)'
_diffrn_detector_area_resol_mean 10.00
_diffrn_measured_fraction_theta_full 0.996
_diffrn_measured_fraction_theta_max 0.996
_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  0.026
_diffrn_reflns_limit_h_max       16
_diffrn_reflns_limit_h_min       -16
_diffrn_reflns_limit_k_max       33
_diffrn_reflns_limit_k_min       -33
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            102127
_diffrn_reflns_theta_full        26.35
_diffrn_reflns_theta_max         26.35
_exptl_absorpt_coefficient_mu    1.021
_exptl_absorpt_correction_T_max  0.849
_exptl_absorpt_correction_T_min  0.752
_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    1.395
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             3000.00
_exptl_crystal_size_max          0.28
_exptl_crystal_size_mid          0.22
_exptl_crystal_size_min          0.16
_refine_diff_density_max         2.43
_refine_diff_density_min         -1.42
_refine_ls_abs_structure_details
'Flack, H. D. (1983), Acta Cryst. A39, 876-881.  13749 Friedel Pairs'
_refine_ls_abs_structure_Flack   -0.002(3)
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.002
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     1820
_refine_ls_number_reflns         27413
_refine_ls_R_factor_gt           0.0237
_refine_ls_shift/su_max          0.0037
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0001Fo^2^ + 1.0200\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.0577
_reflns_number_gt                26965
_reflns_number_total             28261
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            ic901663w_si_002_2.cif
_cod_data_source_block           '_Eu(BIPHEPO)(D-facam)3'
_cod_original_formula_sum        'C72 H72 Eu F9 O9 P2 '
_cod_database_code               4303729