Neutral and Cationic Aluminum Complexes Supported by Sterically Bulky Amidinate Ligands
Schmidt, Joseph A. R.; Arnold, John; Organometallics 21 (2002) 2306–; doi:10.1021/om0201011

data_4076834
_publ_section_title
;
 Neutral and Cationic Aluminum Complexes Supported by Sterically Bulky
 Amidinate Ligands
;
_journal_issue                   11
_journal_name_full               Organometallics
_journal_page_first              2306
_journal_paper_doi               10.1021/om0201011
_journal_volume                  21
_journal_year                    2002
_chemical_formula_moiety         'C31 H39 Al Cl2 N2 '
_chemical_formula_sum            'C31 H39 Al Cl2 N2'
_chemical_formula_weight         537.55
_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'
_audit_creation_date             'Sat Feb 27 14:03:45 1999'
_audit_creation_method           'from TEXRAY.INF file'
_cell_angle_alpha                90
_cell_angle_beta                 94.399(1)
_cell_angle_gamma                90
_cell_formula_units_Z            4
_cell_length_a                   10.784(1)
_cell_length_b                   13.377(1)
_cell_length_c                   20.745(1)
_cell_measurement_reflns_used    5908
_cell_measurement_temperature    125.2
_cell_measurement_theta_max      26.2
_cell_measurement_theta_min      1.5
_cell_volume                     2983.8(4)
_computing_cell_refinement       'Bruker SAINT v5.04'
_computing_data_collection       'Bruker SMART v5.052d'
_computing_data_reduction        'Bruker SAINT v5.04'
_computing_publication_material  teXsan
_computing_structure_refinement  teXsan
_computing_structure_solution    SIR92
_diffrn_ambient_temperature      125.2
_diffrn_measurement_device_type  'SMART CCD'
_diffrn_measurement_method       \w-scan
_diffrn_radiation_monochromator  graphite
_diffrn_radiation_source         'X-ray tube'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.7107
_diffrn_reflns_av_R_equivalents  0.0362
_diffrn_reflns_limit_h_max       13
_diffrn_reflns_limit_h_min       0
_diffrn_reflns_limit_k_max       15
_diffrn_reflns_limit_k_min       -16
_diffrn_reflns_limit_l_max       24
_diffrn_reflns_limit_l_min       -24
_diffrn_reflns_number            14458
_diffrn_reflns_theta_max         26.2
_diffrn_reflns_theta_min         1.5
_exptl_absorpt_coefficient_mu    0.268
_exptl_absorpt_correction_T_max  0.955
_exptl_absorpt_correction_T_min  0.859
_exptl_absorpt_correction_type   psi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.197
_exptl_crystal_description       block
_exptl_crystal_F_000             1144.00
_exptl_crystal_size_max          0.330
_exptl_crystal_size_mid          0.280
_exptl_crystal_size_min          0.170
_refine_diff_density_max         0.29
_refine_diff_density_min         -0.25
_refine_ls_extinction_coef       0.00000
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.406
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     325
_refine_ls_number_reflns         3332
_refine_ls_number_restraints     0
_refine_ls_R_factor_all          0.049
_refine_ls_R_factor_gt           0.0362
_refine_ls_shift/su_max          0.0010
_refine_ls_structure_factor_coef F
_refine_ls_weighting_scheme      sigma
_refine_ls_wR_factor_ref         0.0426
_reflns_number_gt                3332
_reflns_number_total             5560
_reflns_threshold_expression     I>3.00sigma
_cod_data_source_file            om0201011.cif
_cod_data_source_block           LMeAlCl2_8
_cod_original_cell_volume        2983.7(2)
_cod_original_sg_symbol_H-M      'P 21/n     '
_cod_original_formula_sum        'C31 H39 Al Cl2 N2 '
_cod_database_code               4076834