[(<i>E</i>)-10-(2,6-Dimethylphenylimino)-9-methyl-9,10-dihydrophenanthren-9-olato]pentamethyldialuminum(III)
Gao, Bo; Su, Qing; Gao, Wei; Mu, Ying; Acta Crystallographica Section E 67 (2011) m1374–; doi:10.1107/S1600536811036312

data_2232088
_publ_section_title
;
 [(<i>E</i>)-10-(2,6-Dimethylphenylimino)-9-methyl-9,10-dihydrophenanthren-9-olato]pentamethyldialuminum(III)
;
_journal_coeditor_code           WM2522
_journal_issue                   10
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1374
_journal_paper_doi               10.1107/S1600536811036312
_journal_volume                  67
_journal_year                    2011
_chemical_formula_iupac          '[Al2 (C H3)5 (C23 H20 N O)]'
_chemical_formula_moiety         'C28 H35 Al2 N O'
_chemical_formula_sum            'C28 H35 Al2 N O'
_chemical_formula_weight         455.53
_chemical_name_systematic
;
[(<i>E</i>)-10-(2,6-Dimethylphenylimino)-9-methyl-9,10-dihydrophenanthren-9-
olato]pentamethyldialuminum(III)
;
_space_group_IT_number           2
_symmetry_cell_setting           triclinic
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   geom
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-97
_cell_angle_alpha                84.930(3)
_cell_angle_beta                 86.308(3)
_cell_angle_gamma                64.092(2)
_cell_formula_units_Z            2
_cell_length_a                   10.4535(17)
_cell_length_b                   11.4306(18)
_cell_length_c                   12.221(2)
_cell_measurement_reflns_used    2148
_cell_measurement_temperature    184.5(2)
_cell_measurement_theta_max      52.04
_cell_measurement_theta_min      3.64
_cell_volume                     1307.8(4)
_computing_cell_refinement       'SAINT (Bruker, 1998)'
_computing_data_collection       'SMART (Bruker, 1998)'
_computing_data_reduction        'SAINT (Bruker, 1998)'
_computing_molecular_graphics    'XP in SHELXTL (Sheldrick, 2008)'
_computing_publication_material  'SHELXTL (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 2008)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 2008)'
_diffrn_ambient_temperature      184.5(2)
_diffrn_measured_fraction_theta_full 0.965
_diffrn_measured_fraction_theta_max 0.965
_diffrn_measurement_device_type  'SMART CCD area-detector'
_diffrn_measurement_method       'phi and omega scans'
_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  0.0204
_diffrn_reflns_av_sigmaI/netI    0.0493
_diffrn_reflns_limit_h_max       12
_diffrn_reflns_limit_h_min       -11
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       14
_diffrn_reflns_limit_l_min       -15
_diffrn_reflns_number            6899
_diffrn_reflns_theta_full        26.02
_diffrn_reflns_theta_max         26.02
_diffrn_reflns_theta_min         1.67
_diffrn_standards_number         0
_exptl_absorpt_coefficient_mu    0.131
_exptl_absorpt_correction_T_max  0.9756
_exptl_absorpt_correction_T_min  0.9545
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details
;
(<i>SADABS</i>; Bruker, 2001)
;
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.157
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       block
_exptl_crystal_F_000             488
_exptl_crystal_size_max          0.36
_exptl_crystal_size_mid          0.32
_exptl_crystal_size_min          0.19
_refine_diff_density_max         0.483
_refine_diff_density_min         -0.355
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.031
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     297
_refine_ls_number_reflns         4966
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.031
_refine_ls_R_factor_all          0.0838
_refine_ls_R_factor_gt           0.0542
_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^)+(0.0783P)^2^+0.4595P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1301
_refine_ls_wR_factor_ref         0.1497
_reflns_number_gt                3558
_reflns_number_total             4966
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            wm2522.cif
_cod_data_source_block           I
_cod_original_cell_volume        1307.9(4)
_cod_database_code               2232088
_cod_database_fobs_code          2232088