Photofunctionalization of a Pentamethylcyclopentadienyl Ligand with theN-Phenylcarbazolyl Group To Prepare a Highly Luminescent Tb3+Complex Having a Fast Radiation Rate
Yatabe, Takeshi; Nakai, Hidetaka; Nozaki, Koichi; Yamamura, Tomoo; Isobe, Kiyoshi; Organometallics 29 (2010) 2390–; doi:10.1021/om1003094

data_4066135
_publ_section_title
;
 Photofunctionalization of a Pentamethylcyclopentadienyl Ligand with
 theN-Phenylcarbazolyl Group To Prepare a Highly Luminescent Tb3+Complex
 Having a Fast Radiation Rate
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2390
_journal_paper_doi               10.1021/om1003094
_journal_volume                  29
_journal_year                    2010
_chemical_formula_moiety         'C32 H34 K N O '
_chemical_formula_sum            'C32 H34 K N O'
_chemical_formula_weight         487.72
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_cell_angle_alpha                90.0000
_cell_angle_beta                 100.365(4)
_cell_angle_gamma                90.0000
_cell_formula_units_Z            4
_cell_length_a                   9.1871(14)
_cell_length_b                   28.378(4)
_cell_length_c                   10.3886(17)
_cell_measurement_reflns_used    9141
_cell_measurement_temperature    123.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.1
_cell_volume                     2664.2(7)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_publication_material  'CrystalStructure 3.8'
_computing_structure_refinement  SHELXL
_computing_structure_solution    SIR92
_diffrn_detector_area_resol_mean 7.31
_diffrn_measured_fraction_theta_full 0.987
_diffrn_measured_fraction_theta_max 0.987
_diffrn_measurement_device_type  'Rigaku Mercury'
_diffrn_measurement_method       \w
_diffrn_radiation_type           'Mo K\a'
_diffrn_radiation_wavelength     0.71070
_diffrn_reflns_av_R_equivalents  0.055
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       36
_diffrn_reflns_limit_k_min       -36
_diffrn_reflns_limit_l_max       13
_diffrn_reflns_limit_l_min       -13
_diffrn_reflns_number            27744
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_exptl_absorpt_coefficient_mu    0.224
_exptl_absorpt_correction_T_max  0.978
_exptl_absorpt_correction_T_min  0.949
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details
;
    Higashi, T. (1995). Program for Absorption Correction.
    Rigaku Corporation, Tokyo, Japan.
;
_exptl_crystal_colour            paleyellow
_exptl_crystal_density_diffrn    1.216
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             1040.00
_exptl_crystal_size_max          0.30
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.10
_refine_diff_density_max         0.84
_refine_diff_density_min         -0.63
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.081
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     317
_refine_ls_number_reflns         6041
_refine_ls_R_factor_gt           0.0768
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[\s^2^(Fo^2^)+(0.1237P)^2^+1.6793P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.2347
_reflns_number_gt                4527
_reflns_number_total             6041
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om1003094_si_002.cif
_cod_data_source_block           '__KCpPhCar'
_cod_original_formula_sum        'C32 H34 K N O '
_cod_database_code               4066135