Four-Coordinate, Low-Spin (S= 0) and Six-Coordinate, High-Spin (S= 1) Nickel(II) Complexes of Tetraphenylporphyrins with β-Pyrrole Electron-Withdrawing Substituents: Porphyrin-Core Expansion and Conformation
Hugues Duval; Véronique Bulach; Jean Fischer; Raymond Weiss; Inorganic Chemistry 38 (1999) 5495–5501; doi:10.1021/ic990231a

data_4322418
_publ_contact_author_address
;
Laboratoire de Cristallochimie et de Chimie Structurale
Universite Louis Pasteur
UMR 7513
4, rue Blaise Pascal
67070 Strasbourg cedex
France
;
_publ_contact_author_email       fischer@chimie.u-strasbg.fr
_publ_contact_author_fax         '+33 (0)3 88 41 53 63'
_publ_contact_author_name
;
Fischer Jean
;
_publ_contact_author_phone       '+33 (0)3 88 41 60 58'
_publ_section_title
;
 Four-Coordinate, Low-Spin (S= 0) and Six-Coordinate, High-Spin (S= 1)
 Nickel(II) Complexes of Tetraphenylporphyrins with \b-Pyrrole
 Electron-Withdrawing Substituents: Porphyrin-Core Expansion and
 Conformation
;
_journal_name_full               'Inorganic Chemistry'
_journal_page_first              5495
_journal_page_last               5501
_journal_paper_doi               10.1021/ic990231a
_journal_volume                  38
_journal_year                    1999
_chemical_formula_moiety         'C53 H30 Br4 Cl5 N8 Ni'
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_cod_depositor_comments
;
The following automatic conversions were performed:

'_refine_ls_weighting_scheme' value '4Fo^2^/(\s^2^(Fo^2^) + 0.0064
Fo^4^)' was changed to 'calc'. New tag '_refine_ls_weighting_details'
was created. The value of the new tag was set to 'w =
4Fo^2^/(\s^2^(Fo^2^) + 0.0064 Fo^4^)'.

Automatic conversion script
Id: cif_fix_values 3143 2015-03-26 13:38:13Z robertas 
;
_cod_original_cell_volume        2539.4(5)
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