Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by Phenolato Ligands and Their Applications in the Polymerization of ε-Caprolactone: A Comparative Study.
Chen, Lijuan; Li, Wenyi; Yuan, Dan; Zhang, Yong; Shen, Qi; Yao, Yingming; Inorganic chemistry 54 (2015) 4699–4708; doi:10.1021/acs.inorgchem.5b00022

data_4343004
_publ_section_title
;
 Syntheses of Mononuclear and Dinuclear Aluminum Complexes Stabilized by
 Phenolato Ligands and Their Applications in the Polymerization of
 \e-Caprolactone: A Comparative Study.
;
_journal_issue                   10
_journal_name_full               'Inorganic chemistry'
_journal_page_first              4699
_journal_page_last               4708
_journal_paper_doi               10.1021/acs.inorgchem.5b00022
_journal_volume                  54
_journal_year                    2015
_chemical_formula_moiety         '2(C19 H32 Al N O)'
_chemical_formula_sum            'C38 H64 Al2 N2 O2'
_chemical_formula_weight         634.87
_chemical_name_systematic
; 
 ? 
;
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_symmetry_space_group_name_Hall  '-P 1'
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_atom_sites_solution_secondary   difmap
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_cell_angle_beta                 72.906(7)
_cell_angle_gamma                87.727(9)
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_cell_measurement_reflns_used    3939
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.5
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_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
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_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.982
_diffrn_measured_fraction_theta_max 0.982
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
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_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_R_equivalents  0.0336
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_diffrn_reflns_theta_full        27.49
_diffrn_reflns_theta_max         27.49
_diffrn_reflns_theta_min         3.10
_exptl_absorpt_coefficient_mu    0.104
_exptl_absorpt_correction_T_max  0.972
_exptl_absorpt_correction_T_min  0.783
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.057
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             348
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_refine_diff_density_rms         '0.037 =###END'
_refine_ls_extinction_method     none
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_refine_ls_R_factor_all          0.0845
_refine_ls_R_factor_gt           0.0519
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w=1/[\s^2^(Fo^2^)+(0.0712P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_refine_ls_wR_factor_ref         0.1438
_reflns_number_gt                3060
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_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic5b00022_si_003.cif
_cod_data_source_block           shelxl
_cod_depositor_comments
'Adding full bibliography for 4343003--4343007.cif.'
_cod_original_cell_volume        997.30(18)
_cod_database_code               4343004