Scandium complexes containing β-diketiminato ligands with pendant phosphanyl groups: competition between Sc/γ-C [4 + 2] cycloaddition and Sc/P frustrated Lewis pair reactions.
Yao, Tu; Xu, Pengfei; Xu, Xin; Dalton transactions (Cambridge, England : 2003) 48 (2019) 7743–7754; doi:10.1039/c9dt01035a

data_7049939
_publ_section_title
;
 Scandium complexes containing \b-diketiminato ligands with pendant
 phosphanyl groups: competition between Sc/\g-C [4 + 2] cycloaddition and
 Sc/P frustrated Lewis pair reactions.
;
_journal_issue                   22
_journal_name_full
'Dalton transactions (Cambridge, England : 2003)'
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_journal_page_last               7754
_journal_paper_doi               10.1039/c9dt01035a
_journal_volume                  48
_journal_year                    2019
_chemical_formula_sum            'C94 H79 B Cl3 F20 N3 O P S Sc'
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_space_group_name_Hall           '-P 1'
_space_group_name_H-M_alt        'P -1'
_symmetry_space_group_name_Hall  '-P 1'
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;
2019-03-07 deposited with the CCDC.    2019-05-01 downloaded from the CCDC.
;
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'SADABS-2016/2 - Bruker AXS area detector scaling and absorption correction '
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_refine_ls_number_reflns         19902
_refine_ls_number_restraints     0
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_refine_ls_R_factor_gt           0.0581
_refine_ls_shift/su_max          0.001
_refine_ls_shift/su_mean         0.000
_refine_ls_structure_factor_coef Fsqd
_refine_ls_weighting_details
;
 w=1/[\s^2^(Fo^2^)+(0.0731P)^2^+5.4623P]
 where P=(Fo^2^+2Fc^2^)/3
;
_refine_ls_weighting_scheme      calc
_refine_ls_wR_factor_gt          0.1478
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_reflns_number_gt                15174
_reflns_number_total             19902
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           001-2
_cod_depositor_comments
'Adding full bibliography for 7049936--7049940.cif.'
_cod_database_code               7049939
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