An aldehyde-stabilised alkoxyaluminium dication.
Benny, Annabel; Vijayan, Devika; Thayalan, Rajeshkumar; Maron, Laurent; Venugopal, Ajay; Chemical communications (Cambridge, England) 61 (2025) 16074–16077; doi:10.1039/d5cc04034e

data_7135226
_publ_section_title
;
 An aldehyde-stabilised alkoxyaluminium dication.
;
_journal_issue                   82
_journal_name_full               'Chemical communications (Cambridge, England)'
_journal_page_first              16074
_journal_page_last               16077
_journal_paper_doi               10.1039/d5cc04034e
_journal_volume                  61
_journal_year                    2025
_chemical_formula_sum            'C76 H40 Al3 F81 O14'
_chemical_formula_weight         2797.02
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_space_group_IT_number           2
_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2019/3
_audit_update_record
;
2025-09-02 deposited with the CCDC.	2025-09-05 downloaded from the CCDC.
;
_cell_angle_alpha                84.126(2)
_cell_angle_beta                 82.511(2)
_cell_angle_gamma                63.971(2)
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_cell_length_b                   15.9964(9)
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_cell_measurement_temperature    100(2)
_cell_measurement_theta_max      22.4
_cell_measurement_theta_min      2.8
_cell_volume                     5106.2(5)
_computing_cell_refinement       'APEX3/SAINT (Bruker, 2016)'
_computing_data_collection       'APEX3 (Bruker, 2016)'
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_computing_molecular_graphics
'ORTEP3 (Farrugia, 1997) and Mercury (Bruno et al., 2002)'
_computing_publication_material  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_refinement  'SHELXL-2019/2 (Sheldrick, 2019)'
_computing_structure_solution    'SHELXT-2018/2 (Sheldrick, 2018)'
_diffrn_ambient_temperature      100(2)
_diffrn_measured_fraction_theta_full 0.999
_diffrn_measured_fraction_theta_max 0.999
_diffrn_measurement_device_type  '\Bruker Kappa Apex3 CMOS'
_diffrn_measurement_method       '\w scans'
_diffrn_radiation_type           MoK\a
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_Laue_measured_fraction_full 0.999
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_diffrn_reflns_point_group_measured_fraction_full 0.999
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_diffrn_reflns_theta_max         25.000
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_diffrn_source                   'Sealed microfocus tube'
_exptl_absorpt_coefficient_mu    0.243
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_exptl_absorpt_correction_type   multi-scan
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_exptl_crystal_colour            yellow
_exptl_crystal_density_diffrn    1.819
_exptl_crystal_density_meas      1.818
_exptl_crystal_density_method    none
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_exptl_crystal_size_min          0.035
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_refine_diff_density_rms         0.080
_refine_ls_extinction_method     none
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_refine_ls_restrained_S_all      0.988
_refine_ls_R_factor_all          0.0946
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_refine_ls_shift/su_max          0.004
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0892P)^2^+11.5125P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_number_total             17948
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5cc04034e2.cif
_cod_data_source_block           compound2
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_shelx_shelxl_version_number     2019/3
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_shelx_estimated_absorpt_t_max   0.992
_shelx_res_checksum              1540
_shelx_hkl_checksum              16533