A Comparative Study on Dinuclear and Mononuclear Aluminum Methyl Complexes Bearing Piperidyl-Phenolato Ligands in ROP of Epoxides.
Li, Wenyi; Ouyang, Hao; Chen, Lijuan; Yuan, Dan; Zhang, Yong; Yao, Yingming; Inorganic chemistry 55 (2016) 6520–6524; doi:10.1021/acs.inorgchem.6b00639

data_4344886
_publ_section_title
;
 A Comparative Study on Dinuclear and Mononuclear Aluminum Methyl
 Complexes Bearing Piperidyl-Phenolato Ligands in ROP of Epoxides.
;
_journal_issue                   13
_journal_name_full               'Inorganic chemistry'
_journal_page_first              6520
_journal_page_last               6524
_journal_paper_doi               10.1021/acs.inorgchem.6b00639
_journal_volume                  55
_journal_year                    2016
_chemical_formula_moiety         'C22 H41 Al2 N O'
_chemical_formula_sum            'C22 H41 Al2 N O'
_chemical_formula_weight         389.52
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_Int_Tables_number      14
_symmetry_space_group_name_Hall  '-P 2yn'
_symmetry_space_group_name_H-M   'P 1 21/n 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                90.00
_cell_angle_beta                 91.951(14)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.319(7)
_cell_length_b                   21.167(16)
_cell_length_c                   12.486(9)
_cell_measurement_reflns_used    9492
_cell_measurement_temperature    223(2)
_cell_measurement_theta_max      27.7
_cell_measurement_theta_min      3.3
_cell_volume                     2462(3)
_computing_cell_refinement       CrystalClear
_computing_data_collection       CrystalClear
_computing_data_reduction        CrystalStructure
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      223(2)
_diffrn_detector_area_resol_mean 14.63
_diffrn_measured_fraction_theta_full 0.992
_diffrn_measured_fraction_theta_max 0.992
_diffrn_measurement_device_type  'Rigaku Saturn'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71075
_diffrn_reflns_av_R_equivalents  0.0471
_diffrn_reflns_av_sigmaI/netI    0.0707
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       25
_diffrn_reflns_limit_k_min       -23
_diffrn_reflns_limit_l_max       15
_diffrn_reflns_limit_l_min       -14
_diffrn_reflns_number            11769
_diffrn_reflns_theta_full        25.50
_diffrn_reflns_theta_max         25.50
_diffrn_reflns_theta_min         3.30
_exptl_absorpt_coefficient_mu    0.128
_exptl_absorpt_correction_T_max  0.977
_exptl_absorpt_correction_T_min  0.511
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'Jacobson, R. (1998) Private communication'
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.051
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             856
_exptl_crystal_size_max          0.70
_exptl_crystal_size_mid          0.60
_exptl_crystal_size_min          0.60
_refine_diff_density_max         0.269
_refine_diff_density_min         -0.461
_refine_diff_density_rms         '0.066 =###END'
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.129
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     245
_refine_ls_number_reflns         4548
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.129
_refine_ls_R_factor_all          0.0995
_refine_ls_R_factor_gt           0.0594
_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^)+(0.1011P)^2^+0.0000P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1541
_refine_ls_wR_factor_ref         0.2026
_reflns_number_gt                2781
_reflns_number_total             4548
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            ic6b00639_si_002.cif
_cod_data_source_block           shelxl
_cod_original_cell_volume        2461(3)
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               4344886