Reactivity patterns for the activation of CO<sub>2</sub> and CS<sub>2</sub> with alumoxane and aluminum hydrides.
González-Gallardo, Sandra; Jancik, Vojtech; Díaz-Gómez, Dalia G; Cortés-Guzmán, Fernando; Hernández-Balderas, Uvaldo; Moya-Cabrera, Mónica; Dalton transactions (Cambridge, England : 2003) 48 (2019) 5595–5603; doi:10.1039/c9dt00515c

data_7049597
_publ_section_title
;
 Reactivity patterns for the activation of CO<sub>2</sub> and
 CS<sub>2</sub> with alumoxane and aluminum hydrides.
;
_journal_issue                   17
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5595
_journal_page_last               5603
_journal_paper_doi               10.1039/c9dt00515c
_journal_volume                  48
_journal_year                    2019
_chemical_formula_moiety         'C47.78 H61.78 Al2 N4 O3.67'
_chemical_formula_sum            'C47.78 H61.78 Al2 N4 O3.67'
_chemical_formula_weight         804.83
_chemical_properties_physical    ', Moisture-sensitive'
_space_group_crystal_system      triclinic
_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
_symmetry_space_group_name_H-M   'P -1'
_atom_sites_solution_hydrogens   mixed
_atom_sites_solution_primary     direct
_atom_sites_solution_secondary   difmap
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2017-03-07 deposited with the CCDC.    2019-03-22 downloaded from the CCDC.
;
_cell_angle_alpha                70.1027(10)
_cell_angle_beta                 83.2915(11)
_cell_angle_gamma                79.9565(11)
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_cell_length_a                   8.7550(6)
_cell_length_b                   9.9863(7)
_cell_length_c                   13.3508(9)
_cell_measurement_reflns_used    9045
_cell_measurement_temperature    173(2)
_cell_measurement_theta_max      25.36
_cell_measurement_theta_min      2.19
_cell_volume                     1078.68(13)
_computing_cell_refinement       'Bruker SAINT'
_computing_data_collection       'Bruker SMART'
_computing_data_reduction        'Bruker SAINT'
_computing_molecular_graphics    'Bruker SHELXTL'
_computing_publication_material  'Bruker SHELXTL'
_computing_structure_refinement  'SHELXL-2014/7 (Sheldrick, 2014)'
_computing_structure_solution    'SHELXS-97 (Sheldrick 2008)'
_diffrn_ambient_temperature      173(2)
_diffrn_detector_area_resol_mean 0.661
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart Apex CCD diffractometer'
_diffrn_measurement_method       'omega scan'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0237
_diffrn_reflns_av_unetI/netI     0.0212
_diffrn_reflns_Laue_measured_fraction_full 0.998
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       10
_diffrn_reflns_limit_h_min       -10
_diffrn_reflns_limit_k_max       11
_diffrn_reflns_limit_k_min       -11
_diffrn_reflns_limit_l_max       16
_diffrn_reflns_limit_l_min       -16
_diffrn_reflns_number            14497
_diffrn_reflns_point_group_measured_fraction_full 0.998
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         25.252
_diffrn_reflns_theta_min         1.625
_exptl_absorpt_coefficient_mu    0.115
_exptl_absorpt_correction_T_max  0.7449
_exptl_absorpt_correction_T_min  0.7045
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   'SADABS 2014/5, Sheldrick 2014'
_exptl_crystal_colour            COLORLESS
_exptl_crystal_density_diffrn    1.239
_exptl_crystal_description       PLATE
_exptl_crystal_F_000             432
_exptl_crystal_size_max          0.368
_exptl_crystal_size_mid          0.286
_exptl_crystal_size_min          0.098
_refine_diff_density_max         0.471
_refine_diff_density_min         -0.234
_refine_diff_density_rms         0.052
_refine_ls_extinction_method     none
_refine_ls_goodness_of_fit_ref   1.034
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     289
_refine_ls_number_reflns         3902
_refine_ls_number_restraints     11
_refine_ls_restrained_S_all      1.043
_refine_ls_R_factor_all          0.0475
_refine_ls_R_factor_gt           0.0428
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0640P)^2^+0.5279P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1111
_refine_ls_wR_factor_ref         0.1150
_reflns_Friedel_coverage         0.000
_reflns_number_gt                3472
_reflns_number_total             3902
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            c9dt00515c2.cif
_cod_data_source_block           5
_cod_depositor_comments
'Adding full bibliography for 7049595--7049598.cif.'
_cod_database_code               7049597
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.959
_shelx_estimated_absorpt_t_max   0.989
_shelx_res_checksum              18468