Notable Effect of Fluoro Substituents in the Imino Group in Ring-Opening Polymerization of ε-Caprolactone by Al Complexes Containing Phenoxyimine Ligands
Iwasa, Naruhito; Katao, Shohei; Liu, Jingyu; Fujiki, Michiya; Furukawa, Yoshiro; Nomura, Kotohiro; Organometallics 28 (2009) 2179–; doi:10.1021/om8011882

data_4068979
_publ_section_title
;
 Notable Effect of Fluoro Substituents in the Imino Group in Ring-Opening
 Polymerization of \e-Caprolactone by Al Complexes Containing Phenoxyimine
 Ligands
;
_journal_issue                   7
_journal_name_full               Organometallics
_journal_page_first              2179
_journal_paper_doi               10.1021/om8011882
_journal_volume                  28
_journal_year                    2009
_chemical_formula_moiety         'C19 H22 Al F2 N O '
_chemical_formula_sum            'C19 H22 Al F2 N O'
_chemical_formula_weight         345.37
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_Int_Tables_number      2
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_cell_angle_alpha                88.301(2)
_cell_angle_beta                 74.8131(14)
_cell_angle_gamma                84.267(2)
_cell_formula_units_Z            2
_cell_length_a                   7.5473(4)
_cell_length_b                   9.8452(7)
_cell_length_c                   12.7096(7)
_cell_measurement_reflns_used    7448
_cell_measurement_temperature    193.1
_cell_measurement_theta_max      27.5
_cell_measurement_theta_min      3.3
_cell_volume                     906.84(9)
_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 0.996
_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  0.020
_diffrn_reflns_limit_h_max       9
_diffrn_reflns_limit_h_min       -9
_diffrn_reflns_limit_k_max       12
_diffrn_reflns_limit_k_min       -12
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            9121
_diffrn_reflns_theta_full        27.46
_diffrn_reflns_theta_max         27.46
_exptl_absorpt_coefficient_mu    0.136
_exptl_absorpt_correction_T_max  0.976
_exptl_absorpt_correction_T_min  0.719
_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    1.265
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             364.00
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.32
_refine_diff_density_min         -0.27
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.000
_refine_ls_hydrogen_treatment    refall
_refine_ls_number_parameters     239
_refine_ls_number_reflns         3214
_refine_ls_R_factor_gt           0.0433
_refine_ls_shift/su_max          0.0000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w = 1/[0.0051Fo^2^ + 1.0000\s(Fo^2^)]/(4Fo^2^)'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_ref         0.1619
_reflns_number_gt                3202
_reflns_number_total             4140
_reflns_threshold_expression     F^2^>2.0\s(F^2^)
_cod_data_source_file            om8011882_si_002.cif
_cod_data_source_block           '_NI1094C'
_cod_original_formula_sum        'C19 H22 Al F2 N O '
_cod_database_code               4068979