Flexible bidentate aluminum Lewis acids for host-guest complex formation.
Tsui, Tz-Ching; Lan, Hao-Yuan; Li, Han-Jung; Kuo, Ting-Shen; Liu, Hsueh-Ju; Dalton transactions (Cambridge, England : 2003) 54 (2025) 5311–5318; doi:10.1039/d4dt03288h

data_7718036
_publ_section_title
;
 Flexible bidentate aluminum Lewis acids for host-guest complex formation.
;
_journal_issue                   13
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
_journal_page_first              5311
_journal_page_last               5318
_journal_paper_doi               10.1039/d4dt03288h
_journal_volume                  54
_journal_year                    2025
_chemical_formula_moiety         'C84 H140 Al4 Cl8 N4 O4 Si4'
_chemical_formula_sum            'C84 H140 Al4 Cl8 N4 O4 Si4'
_chemical_formula_weight         1773.87
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
_space_group_name_H-M_alt        'P 1 21/c 1'
_atom_sites_solution_hydrogens   geom
_audit_creation_method           SHELXL-2014/7
_audit_update_record
;
2025-02-05 deposited with the CCDC.	2025-02-07 downloaded from the CCDC.
;
_cell_angle_alpha                90
_cell_angle_beta                 111.568(6)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   21.588(5)
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_cell_measurement_temperature    200(2)
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_cell_volume                     4956.2(19)
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_computing_structure_solution    'WinGx 2014'
_diffrn_ambient_temperature      200(2)
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_diffrn_measured_fraction_theta_max 0.988
_diffrn_measurement_device_type  'Bruker D8 Venture'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_av_unetI/netI     0.1007
_diffrn_reflns_Laue_measured_fraction_full 0.988
_diffrn_reflns_Laue_measured_fraction_max 0.988
_diffrn_reflns_limit_h_max       23
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_diffrn_reflns_theta_full        25.141
_diffrn_reflns_theta_max         25.141
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_exptl_absorpt_coefficient_mu    0.357
_exptl_absorpt_correction_T_max  0.9652
_exptl_absorpt_correction_T_min  0.9256
_exptl_absorpt_correction_type   multi-scan
_exptl_absorpt_process_details   SADABS
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.189
_exptl_crystal_description       prism
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_refine_ls_hydrogen_treatment    constr
_refine_ls_matrix_type           full
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_refine_ls_number_reflns         8764
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.026
_refine_ls_R_factor_all          0.2031
_refine_ls_R_factor_gt           0.1230
_refine_ls_shift/su_max          0.000
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.1862P)^2^+26.2423P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.3386
_refine_ls_wR_factor_ref         0.4032
_reflns_Friedel_coverage         0.000
_reflns_number_gt                4536
_reflns_number_total             8764
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03288h2.cif
_cod_data_source_block           shelx
_cod_depositor_comments
'Adding full bibliography for 7718036--7718044.cif.'
_cod_original_cell_volume        4956(2)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7718036
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