Migratory insertion of isocyanide into a ketenyl-tungsten bond as key step in cyclization reactions.
Timmermann, Christopher; Thiem, Paula; Wanitschke, Dominik; Hüttenschmidt, Mareike; Romischke, Johanna; Villinger, Alexander; Seidel, Wolfram W.; Chemical science 13 (2021) 123–132; doi:10.1039/d1sc06149f

data_1565572
_publ_section_title
;
 Migratory insertion of isocyanide into a ketenyl-tungsten bond as key
 step in cyclization reactions.
;
_journal_issue                   1
_journal_name_full               'Chemical science'
_journal_page_first              123
_journal_page_last               132
_journal_paper_doi               10.1039/d1sc06149f
_journal_volume                  13
_journal_year                    2021
_chemical_formula_moiety         'C33 H44 B N7 O4 W, 0.625(C H2 Cl2)'
_chemical_formula_sum            'C33.62 H45.25 B Cl1.25 N7 O4 W'
_chemical_formula_weight         850.49
_chemical_name_systematic
'[Di(carbonyl)-\k2-C,O-{(E)-3-(2,6-dimethyphenylamino)-1-ethoxyprop-1-en-3-ylidene-1-olate}-hydridotris(3,4,5-trimethylpyrazolyl)borato-tungsten(II)]'
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;
2021-02-04 deposited with the CCDC.	2021-11-22 downloaded from the CCDC.
;
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'Re-crystallisation from solvent: dichloromethane/methanol'
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;
The unit cell contains 2.5 dichloromethane molecules which have been treated 
as a diffuse contribution to the overall scattering without specific atom 
positions by SQUEEZE/PLATON.
;
_refine_diff_density_max         2.679
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_refine_ls_extinction_expression Fc^*^=kFc[1+0.001xFc^2^\l^3^/sin(2\q)]^-1/4^
_refine_ls_extinction_method     'SHELXL-2014/7 (Sheldrick 2014'
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'w=1/[\s^2^(Fo^2^)+12.7003P] where P=(Fo^2^+2Fc^2^)/3'
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_reflns_number_total             13607
_reflns_threshold_expression     'I > 2\s(I)'
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_cod_data_source_block           is_ct1801
_cod_depositor_comments
'Adding full bibliography for 1565569--1565576.cif.'
_cod_original_sg_symbol_H-M      'P 21/c'
_cod_database_code               1565572
_shelx_shelxl_version_number     2014/7
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_shelx_res_checksum              40048
_shelx_hkl_checksum              68722