Reducing hybrid ligand-based alane and chasing aluminium(I): dialane and unusual transient dialumene.
Wang, Xiaobai; Ligorio, Raphael F.; Rüttger, Franziska; Krengel, David M. J.; Graw, Nico; Herbst-Irmer, Regine; Krawczuk, Anna; Stalke, Dietmar; Dalton transactions (Cambridge, England : 2003) 53 (2024) 15441–15450; doi:10.1039/d4dt01798f

data_7716777
_publ_section_title
;
 Reducing hybrid ligand-based alane and chasing aluminium(I): dialane and
 unusual transient dialumene.
;
_journal_issue                   37
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              15441
_journal_page_last               15450
_journal_paper_doi               10.1039/d4dt01798f
_journal_volume                  53
_journal_year                    2024
_chemical_formula_moiety         'C54 H72 Al2 N4 O0.055'
_chemical_formula_sum            'C54 H72 Al2 N4 O0.06'
_chemical_formula_weight         831.99
_space_group_crystal_system      monoclinic
_space_group_IT_number           14
_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   mixed
_audit_creation_method           SHELXL-2019/1
_audit_update_record
;
2023-12-12 deposited with the CCDC.	2024-07-29 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 102.80(2)
_cell_angle_gamma                90
_cell_formula_units_Z            4
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_cell_length_b                   19.267(3)
_cell_length_c                   23.219(2)
_cell_measurement_reflns_used    9432
_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      26.3665
_cell_measurement_theta_min      2.298
_cell_volume                     4971.9(13)
_computing_cell_refinement       'Bruker SAINT V8.40B'
_computing_data_collection       'Bruker APEX2 v2012.2'
_computing_data_reduction        'Bruker SAINT V8.40B'
_computing_structure_refinement  'SHELXL-2019/1 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT(Sheldrick,Acta Cryst.(2015)A71,3-8)'
_diffrn_ambient_temperature      100(2)
_diffrn_detector_type            'Bruker Photon III C7 CMOS'
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker Smart APEX II Quazar'
_diffrn_measurement_method       '\f and \w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
_diffrn_reflns_av_R_equivalents  0.0430
_diffrn_reflns_av_unetI/netI     0.0149
_diffrn_reflns_Laue_measured_fraction_full 0.999
_diffrn_reflns_Laue_measured_fraction_max 0.998
_diffrn_reflns_limit_h_max       14
_diffrn_reflns_limit_h_min       -14
_diffrn_reflns_limit_k_max       24
_diffrn_reflns_limit_k_min       -24
_diffrn_reflns_limit_l_max       29
_diffrn_reflns_limit_l_min       -29
_diffrn_reflns_number            211152
_diffrn_reflns_point_group_measured_fraction_full 0.999
_diffrn_reflns_point_group_measured_fraction_max 0.998
_diffrn_reflns_theta_full        25.242
_diffrn_reflns_theta_max         26.408
_diffrn_reflns_theta_min         1.388
_diffrn_source                   'Incoatec Microsource'
_exptl_absorpt_coefficient_mu    0.097
_exptl_absorpt_correction_T_max  0.7454
_exptl_absorpt_correction_T_min  0.7214
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS-2016/2
_exptl_crystal_colour            red
_exptl_crystal_density_diffrn    1.112
_exptl_crystal_description       block
_exptl_crystal_F_000             1802
_exptl_crystal_size_max          0.436
_exptl_crystal_size_mid          0.392
_exptl_crystal_size_min          0.310
_refine_diff_density_max         0.521
_refine_diff_density_min         -0.401
_refine_diff_density_rms         0.038
_refine_ls_extinction_coef       0.0022(3)
_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2019/1 (Sheldrick 2019)'
_refine_ls_goodness_of_fit_ref   1.030
_refine_ls_hydrogen_treatment    mixed
_refine_ls_matrix_type           full
_refine_ls_number_parameters     577
_refine_ls_number_reflns         10165
_refine_ls_number_restraints     581
_refine_ls_restrained_S_all      1.005
_refine_ls_R_factor_all          0.0418
_refine_ls_R_factor_gt           0.0349
_refine_ls_shift/su_max          0.002
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0339P)^2^+2.7290P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.0830
_refine_ls_wR_factor_ref         0.0884
_reflns_Friedel_coverage         0.000
_reflns_number_gt                8898
_reflns_number_total             10165
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01798f2.cif
_cod_data_source_block           3
_cod_depositor_comments
'Adding full bibliography for 7716775--7716778.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7716777
_shelx_shelxl_version_number     2019/1
_shelx_estimated_absorpt_t_min   0.959
_shelx_estimated_absorpt_t_max   0.971
_shelx_res_checksum              8037
_shelx_hkl_checksum              74280