Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.
Xu, Huihui; León Baeza, José Miguel; Baceiredo, Antoine; Rojas Guerrero, René Segundo; Saffon-Merceron, Nathalie; Branchadell, Vicenç; Kato, Tsuyoshi; Chemical science 16 (2025) 14225–14230; doi:10.1039/d5sc03846d

data_1574964
_publ_section_title
;
 Aluminacyclopropene-phosphine complex: a carbene-exchange reagent.
;
_journal_issue                   31
_journal_name_full               'Chemical science'
_journal_page_first              14225
_journal_page_last               14230
_journal_paper_doi               10.1039/d5sc03846d
_journal_volume                  16
_journal_year                    2025
_chemical_formula_sum            'C46 H79 Al N5 P Si'
_chemical_formula_weight         788.18
_space_group_crystal_system      monoclinic
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_space_group_name_Hall           '-P 2yn'
_space_group_name_H-M_alt        'P 1 21/n 1'
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_atom_sites_solution_primary     dual
_audit_creation_method           SHELXL-2019/2
_audit_update_record
;
2025-04-04 deposited with the CCDC.	2025-06-30 downloaded from the CCDC.
;
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_cell_measurement_temperature    193(2)
_cell_measurement_theta_max      28.67
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_cell_volume                     4734.4(7)
_computing_cell_refinement       'Bruker SAINT'
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_computing_structure_solution    'SHELXT (Sheldrick 2015)'
_diffrn_ambient_temperature      193(2)
_diffrn_measured_fraction_theta_full 0.998
_diffrn_measured_fraction_theta_max 0.998
_diffrn_measurement_device_type  'Bruker D8-Venture Photon III-C14 detector'
_diffrn_measurement_method       'Phi and omega scans'
_diffrn_radiation_type           MoK\a
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_diffrn_reflns_limit_h_max       16
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_diffrn_source                   'Fine-focus sealed tube'
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_exptl_crystal_colour            orange
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_refine_ls_extinction_method     none
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_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
'w=1/[\s^2^(Fo^2^)+(0.0462P)^2^+1.6587P] where P=(Fo^2^+2Fc^2^)/3'
_refine_ls_weighting_scheme      calc
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_reflns_threshold_expression     'I > 2\s(I)'
_cod_data_source_file            d5sc03846d2.cif
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_cod_depositor_comments
'Adding full bibliography for 1574958--1574964.cif.'
_cod_original_sg_symbol_H-M      'P 21/n'
_cod_database_code               1574964
_shelx_shelxl_version_number     2019/2
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_shelx_res_checksum              48662