[<i>N</i>,<i>N</i>-Bis(2,6-diisopropylphenyl)pent-2-ene-2,4-diiminato(1{-})]bis(1,2,4-diazaphosphol-1-yl)aluminium(III)
Yang, Dongming; Pi, Chengfu; Ding, Yuqiang; Zheng, Wenjun; Acta Crystallographica Section E 66 (2010) m1681–; doi:10.1107/S1600536810049007

data_2228216
_publ_section_title
;
 [<i>N</i>,<i>N</i>-Bis(2,6-diisopropylphenyl)pent-2-ene-2,4-diiminato(1{-})]bis(1,2,4-diazaphosphol-1-yl)aluminium(III)
;
_journal_coeditor_code           BQ2246
_journal_issue                   12
_journal_name_full               'Acta Crystallographica Section E'
_journal_page_first              m1681
_journal_paper_doi               10.1107/S1600536810049007
_journal_volume                  66
_journal_year                    2010
_chemical_formula_iupac          '[Al (C29 H41 N2) (C2 H2 N2 P)2]'
_chemical_formula_moiety         'C33 H45 Al N6 P2'
_chemical_formula_sum            'C33 H45 Al N6 P2'
_chemical_formula_weight         614.67
_chemical_name_systematic
;
[<i>N</i>,<i>N</i>-Bis(2,6-diisopropylphenyl)pent-2-ene-
2,4-diiminato(1-)]bis(1,2,4-diazaphosphol-1-yl)aluminium(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'
_cell_angle_alpha                92.059(5)
_cell_angle_beta                 98.766(5)
_cell_angle_gamma                96.516(5)
_cell_formula_units_Z            2
_cell_length_a                   10.578(4)
_cell_length_b                   12.578(5)
_cell_length_c                   13.498(5)
_cell_measurement_reflns_used    872
_cell_measurement_temperature    293(2)
_cell_measurement_theta_max      25.577
_cell_measurement_theta_min      3.364
_cell_volume                     1760.9(12)
_computing_cell_refinement       'SAINT (Bruker, 2005)'
_computing_data_collection       'APEX2 (Bruker, 2005)'
_computing_data_reduction        'SAINT (Bruker, 2005)'
_computing_molecular_graphics    'PLATON (Spek, 2009)'
_computing_publication_material  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_refinement  'SHELXL97 (Sheldrick, 2008)'
_computing_structure_solution    'SIR97 (Altomare <i>et al.</i>, 1999)'
_diffrn_ambient_temperature      293(2)
_diffrn_measured_fraction_theta_full 0.981
_diffrn_measured_fraction_theta_max 0.996
_diffrn_measurement_device_type  'Bruker SMART APEXII 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  0.0365
_diffrn_reflns_av_sigmaI/netI    0.0408
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -12
_diffrn_reflns_limit_k_max       14
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       12
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            7337
_diffrn_reflns_theta_full        25.01
_diffrn_reflns_theta_max         25.01
_diffrn_reflns_theta_min         1.63
_diffrn_standards_decay_%        0
_exptl_absorpt_coefficient_mu    0.179
_exptl_absorpt_correction_T_max  0.9651
_exptl_absorpt_correction_T_min  0.9401
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   '(SADABS; Bruker, 2001)'
_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.159
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       sheet
_exptl_crystal_F_000             656
_exptl_crystal_size_max          0.35
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.20
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.562
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.015
_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
_refine_ls_number_parameters     389
_refine_ls_number_reflns         6082
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0944
_refine_ls_R_factor_gt           0.0747
_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^)+(0.1531P)^2^+] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.2066
_refine_ls_wR_factor_ref         0.2242
_reflns_number_gt                4238
_reflns_number_total             6082
_reflns_threshold_expression     I>2sigma(I)
_cod_data_source_file            bq2246.cif
_cod_data_source_block           I
_cod_original_cell_volume        1760.8(11)
_cod_database_code               2228216
_cod_database_fobs_code          2228216