Synthesis and Reactions of a Redox-Active α-Diimine Aluminum Complex
Li, Jianfeng; Zhang, Kun; Huang, Hanmin; Yu, Ao; Hu, Hongfan; Cui, Haiyan; Cui, Chunming; Organometallics 32 (2013) 1630–; doi:10.1021/om300920y

data_4080174
_publ_section_title
;
 Synthesis and Reactions of a Redox-Active \a-Diimine Aluminum Complex
;
_journal_issue                   6
_journal_name_full               Organometallics
_journal_page_first              1630
_journal_paper_doi               10.1021/om300920y
_journal_volume                  32
_journal_year                    2013
_chemical_formula_moiety         'C32 H50 Al N2'
_chemical_formula_sum            'C32 H50 Al N2'
_chemical_formula_weight         489.72
_chemical_name_systematic
; 
 ? 
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_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                 93.202(8)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   10.106(3)
_cell_length_b                   14.562(3)
_cell_length_c                   20.551(5)
_cell_measurement_reflns_used    4883
_cell_measurement_temperature    113(2)
_cell_measurement_theta_max      72.6
_cell_measurement_theta_min      27.5
_cell_volume                     3019.6(13)
_computing_cell_refinement       'Bruker XSCANS'
_computing_data_collection       'Bruker XSCANS'
_computing_data_reduction        'Bruker SHELXTL'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      113(2)
_diffrn_detector_area_resol_mean 11.1
_diffrn_measured_fraction_theta_full 0.983
_diffrn_measured_fraction_theta_max 0.983
_diffrn_measurement_device_type  'Rigaku Saturn 944CCD camera'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0811
_diffrn_reflns_av_sigmaI/netI    0.0451
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       17
_diffrn_reflns_limit_k_min       -17
_diffrn_reflns_limit_l_max       25
_diffrn_reflns_limit_l_min       -25
_diffrn_reflns_number            35974
_diffrn_reflns_theta_full        72.50
_diffrn_reflns_theta_max         72.50
_diffrn_reflns_theta_min         3.72
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.725
_exptl_absorpt_correction_T_max  0.8805
_exptl_absorpt_correction_T_min  0.8567
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   CrystalClear
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.077
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       Prism
_exptl_crystal_F_000             1076
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.327
_refine_diff_density_min         -0.454
_refine_diff_density_rms         0.055
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     SHELXL
_refine_ls_goodness_of_fit_ref   1.090
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     337
_refine_ls_number_reflns         5878
_refine_ls_number_restraints     17
_refine_ls_restrained_S_all      1.095
_refine_ls_R_factor_all          0.0794
_refine_ls_R_factor_gt           0.0697
_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^)+(0.0820P)^2^+2.0658P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1764
_refine_ls_wR_factor_ref         0.1890
_reflns_number_gt                5170
_reflns_number_total             5878
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            om300920y_si_002.cif
_cod_data_source_block           shelx
_cod_original_cell_volume        3019.7(13)
_cod_original_sg_symbol_H-M      P2(1)/n
_cod_database_code               4080174