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_7716778
_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         'C64 H74 Al2 N4, 0.058(C14 H10), 2.383(C6 H6)'
_chemical_formula_sum            'C79.12 H88.88 Al2 N4'
_chemical_formula_weight         1149.78
_space_group_crystal_system      triclinic
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_space_group_name_Hall           '-P 1'
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_atom_sites_solution_hydrogens   mixed
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_audit_update_record
;
2023-12-12 deposited with the CCDC.	2024-07-29 downloaded from the CCDC.
;
_cell_angle_alpha                87.42(2)
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_computing_molecular_graphics    'ShelXle Rev: 1539'
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'SHELXT(Sheldrick,Act_computing_structure_refinement 'SHELXL-2019/1 (Sheldrick, 2019)'
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_diffrn_measured_fraction_theta_full 0.998
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_diffrn_measurement_device_type  'Bruker Smart APEX II Ultra'
_diffrn_measurement_method       '\f and \w scans'
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_diffrn_reflns_theta_max         26.402
_diffrn_reflns_theta_min         0.848
_diffrn_source                   'Bruker Rotating Anode'
_exptl_absorpt_coefficient_mu    0.089
_exptl_crystal_colour            yellow
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_exptl_crystal_F_000             4941
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_exptl_crystal_size_min          0.21
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_refine_ls_number_restraints     4854
_refine_ls_restrained_S_all      1.015
_refine_ls_R_factor_all          0.0832
_refine_ls_R_factor_gt           0.0602
_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^)+(0.0633P)^2^+17.7235P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1547
_refine_ls_wR_factor_ref         0.1693
_reflns_Friedel_coverage         0.000
_reflns_number_gt                41059
_reflns_number_total             54987
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt01798f2.cif
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_cod_depositor_comments
'Adding full bibliography for 7716775--7716778.cif.'
_cod_database_code               7716778
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