{<i>N</i>-[2-(2,6-Dimethylphenylamino)benzylidene]-2,6-dimethylaniline-κ^2^<i>N</i>,<i>N</i>'}dimethylaluminium(III)
Liu, Xiao-Ming; Gao, Wei; Li, Bao; Ni, Jian-Guo; Mu, Ying; Acta Crystallographica Section E 63 (2007) m2549–; doi:10.1107/S1600536807044388

data_2215714
_publ_section_title
{<i>N</i>-[2-(2,6-Dimethylphenylamino)benzylidene]-2,6-dimethylaniline-\k^2^<i>N</i>,<i>N</i>'}dimethylaluminium(III)
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m2549
_journal_paper_doi               10.1107/S1600536807044388
_journal_volume                  63
_journal_year                    2007
_chemical_formula_iupac          '[Al (C H3)2 (C23 H23 N2)]'
_chemical_formula_moiety         'C25 H29 Al N2'
_chemical_formula_sum            'C25 H29 Al N2'
_chemical_formula_weight         384.48
_chemical_name_systematic
;
{N-[2-(2,6-Dimethylphenylamino)benzylidene]-2,6-dimethylaniline-
\k^2^<i>N</i>,<i>N</i>'}dimethylaluminium(III)
;
_space_group_IT_number           14
_symmetry_cell_setting           monoclinic
_symmetry_space_group_name_Hall  '-P 2ybc'
_symmetry_space_group_name_H-M   'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL97
_cell_angle_alpha                90.00
_cell_angle_beta                 111.64(3)
_cell_angle_gamma                90.00
_cell_formula_units_Z            4
_cell_length_a                   9.0483(18)
_cell_length_b                   11.045(2)
_cell_length_c                   24.192(5)
_cell_measurement_reflns_used    11340
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      54.90
_cell_measurement_theta_min      5.82
_cell_volume                     2247.3(9)
_computing_cell_refinement       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_collection       'RAPID-AUTO (Rigaku, 1998)'
_computing_data_reduction        'CrystalStructure (Rigaku/MSC, 2002)'
_computing_molecular_graphics    'XP (Sheldrick, 1993)'
_computing_publication_material  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS97 (Sheldrick, 1997)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.991
_diffrn_measured_fraction_theta_max 0.991
_diffrn_measurement_device_type  'Rigaku R-AXIS RAPID'
_diffrn_measurement_method       \w
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'fine-focus sealed tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0427
_diffrn_reflns_av_sigmaI/netI    0.0822
_diffrn_reflns_limit_h_max       0
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       0
_diffrn_reflns_limit_k_min       -14
_diffrn_reflns_limit_l_max       31
_diffrn_reflns_limit_l_min       -28
_diffrn_reflns_number            11340
_diffrn_reflns_theta_full        27.48
_diffrn_reflns_theta_max         27.48
_diffrn_reflns_theta_min         1.81
_diffrn_standards_decay_%        0
_diffrn_standards_interval_count 0
_diffrn_standards_interval_time  0
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.102
_exptl_absorpt_correction_T_max  0.9848
_exptl_absorpt_correction_T_min  0.9809
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(ABSCOR; Higashi, 1995)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.136
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             824
_exptl_crystal_size_max          0.19
_exptl_crystal_size_mid          0.18
_exptl_crystal_size_min          0.15
_refine_diff_density_max         0.156
_refine_diff_density_min         -0.183
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   0.962
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     259
_refine_ls_number_reflns         5115
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      0.962
_refine_ls_R_factor_all          0.0990
_refine_ls_R_factor_gt           0.0469
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'calc w = 1/[\s^2^(Fo^2^)+(0.0378P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0953
_refine_ls_wR_factor_ref         0.1055
_reflns_number_gt                2682
_reflns_number_total             5115
_reflns_threshold_expression     I>2\s(I)
_cod_data_source_file            zl2062.cif
_cod_data_source_block           I
_cod_original_cell_volume        2247.3(8)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               2215714
_cod_database_fobs_code          2215714