Reductive elimination: a pathway to low-valent aluminium species
Chelladurai Ganesamoorthy; Sinah Loerke; Christian Gemel; Paul Jerabek; Manuela Winter; Gernot Frenking; Roland A. Fischer; Chem.Commun. 49 (2013) 2858–; doi:10.1039/c3cc38584a

data_7109038
_publ_section_title
;
 Reductive elimination: a pathway to low-valent aluminium species
;
_journal_name_full               Chem.Commun.
_journal_page_first              2858
_journal_paper_doi               10.1039/c3cc38584a
_journal_volume                  49
_journal_year                    2013
_chemical_formula_sum            'C20 H31 Al'
_chemical_formula_weight         298.43
_chemical_name_systematic
;
?
;
_space_group_IT_number           61
_symmetry_cell_setting           orthorhombic
_symmetry_space_group_name_Hall  '-P 2ac 2ab'
_symmetry_space_group_name_H-M   'P b c a'
_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                 90.00
_cell_angle_gamma                90.00
_cell_formula_units_Z            8
_cell_length_a                   12.8080(3)
_cell_length_b                   15.2538(3)
_cell_length_c                   19.2266(4)
_cell_measurement_reflns_used    3704
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      73.911
_cell_measurement_theta_min      3.447
_cell_volume                     3756.31(14)
_computing_cell_refinement       'CrysAlis Pro Version 1.171.36.20'
_computing_data_collection       'CrysAlis Pro Version 1.171.36.20'
_computing_data_reduction        'CrysAlis Pro Version 1.171.36.20'
_computing_molecular_graphics    SHELXL-97
_computing_publication_material  SHELXL-97
_computing_structure_refinement  'SHELXL-97 (Sheldrick, 1997)'
_computing_structure_solution    'SHELXS-97 (Sheldrick, 1990)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.973
_diffrn_measurement_device_type  'SuperNova, Single source at offset), Atlas'
_diffrn_measurement_method       \w-scans
_diffrn_radiation_monochromator  mirror
_diffrn_radiation_source         'SuperNova (Cu) X-ray Source'
_diffrn_radiation_type           CuK\a
_diffrn_radiation_wavelength     1.54178
_diffrn_reflns_av_R_equivalents  0.0194
_diffrn_reflns_av_sigmaI/netI    0.0221
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -15
_diffrn_reflns_limit_k_max       10
_diffrn_reflns_limit_k_min       -18
_diffrn_reflns_limit_l_max       22
_diffrn_reflns_limit_l_min       -23
_diffrn_reflns_number            8666
_diffrn_reflns_theta_full        65.00
_diffrn_reflns_theta_max         74.07
_diffrn_reflns_theta_min         5.06
_exptl_absorpt_coefficient_mu    0.860
_exptl_absorpt_correction_T_max  0.850
_exptl_absorpt_correction_T_min  0.820
_exptl_absorpt_correction_type   empirical
_exptl_absorpt_process_details   multi-scan
_exptl_crystal_colour            colourless
_exptl_crystal_density_diffrn    1.055
_exptl_crystal_density_method    'not measured'
_exptl_crystal_description       prism
_exptl_crystal_F_000             1312
_exptl_crystal_size_max          0.22
_exptl_crystal_size_mid          0.20
_exptl_crystal_size_min          0.18
_refine_diff_density_max         0.440
_refine_diff_density_min         -0.155
_refine_diff_density_rms         0.088
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.056
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     204
_refine_ls_number_reflns         3706
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.056
_refine_ls_R_factor_all          0.0713
_refine_ls_R_factor_gt           0.0637
_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^)+(0.1216P)^2^+0.1998P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1589
_refine_ls_wR_factor_ref         0.1704
_reflns_number_gt                3168
_reflns_number_total             3706
_reflns_threshold_expression     >2sigma(I)
_cod_data_source_file            c3cc38584a.txt
_cod_data_source_block           om944s
_cod_original_sg_symbol_H-M      Pbca
_cod_database_code               7109038