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_7718037
_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         'C48 H70 Al2 Cl4 N6 Si2'
_chemical_formula_sum            'C48 H70 Al2 Cl4 N6 Si2'
_chemical_formula_weight         983.04
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2ybc'
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_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                 90.020(10)
_cell_angle_gamma                90
_cell_formula_units_Z            2
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_cell_length_c                   21.438(9)
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_cell_measurement_temperature    200(2)
_cell_measurement_theta_max      23.28
_cell_measurement_theta_min      2.379
_cell_volume                     2701(2)
_computing_data_collection       'Bruker APEX4'
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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
_diffrn_radiation_wavelength     0.71073
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_diffrn_reflns_av_unetI/netI     0.1885
_diffrn_reflns_Laue_measured_fraction_full 0.989
_diffrn_reflns_Laue_measured_fraction_max 0.988
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_diffrn_reflns_limit_k_min       -10
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_diffrn_reflns_point_group_measured_fraction_full 0.989
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_diffrn_reflns_theta_full        24.950
_diffrn_reflns_theta_max         24.950
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_exptl_absorpt_coefficient_mu    0.333
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_exptl_absorpt_correction_T_min  0.964
_exptl_absorpt_correction_type   multi-scan
_exptl_crystal_colour            colorless
_exptl_crystal_density_diffrn    1.209
_exptl_crystal_description       prism
_exptl_crystal_F_000             1044
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_refine_ls_matrix_type           full
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_refine_ls_number_reflns         4535
_refine_ls_number_restraints     0
_refine_ls_restrained_S_all      1.030
_refine_ls_R_factor_all          0.1916
_refine_ls_R_factor_gt           0.0836
_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^)+(0.1064P)^2^] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1758
_refine_ls_wR_factor_ref         0.2305
_reflns_Friedel_coverage         0.000
_reflns_number_gt                2387
_reflns_number_total             4535
_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d4dt03288h2.cif
_cod_data_source_block           shelx_CCDC1
_cod_depositor_comments
'Adding full bibliography for 7718036--7718044.cif.'
_cod_original_cell_volume        2701.3(19)
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               7718037
_shelx_shelxl_version_number     2014/7
_shelx_estimated_absorpt_t_min   0.964
_shelx_estimated_absorpt_t_max   0.987
_shelx_res_checksum              84347