Literature DB >> 23125591

(2.2.2-Cryptand)potassium bis-(cyanato-κN)(5,10,15,20-tetra-phenyl-por-phy-rin-ato-κ(4)N)cobaltate(III) chloro-benzene hemisolvate.

Bader Belhaj Ali1, Mohamed Salah Belkhiria, Jean-Claude Daran, Habib Nasri.   

Abstract

In the title compound, [K(C(18)H(36)N(2)O(6))][Co(NCO)(2)(C(44)H(28)N(4))]·0.5C(6)H(5)Cl or [K(2,2,2-crypt)(+)][Co(III)(NCO)(2)(TPP)(-)]·0.5C(6)H(5)Cl, the Co(III) ion is octa-hedrally coordin-ated by two axial N-bonded NCO(-) anions and four pyrrole N atoms of the porphyrin. There is a major ruffling distortion of the porphyrin: the dihedral angles between trans pyrrole rings are 34.32 (14) and 34.72 (14)°. The potassium ion is coordinated by the six O atoms and two N atoms of the cryptand-222 mol-ecule and a weak K-O [3.407 (3) Å] bond to one of the cyanate O atoms also occurs. The packing also features weak C-H⋯O and C-H⋯π inter-actions. The contribution to the scattering of the disordered chloro-benzene solvent mol-ecules was removed with the SQUEEZE function in PLATON [Spek (2009 ▶). Acta Cryst. D65, 148-155].

Entities:  

Year:  2012        PMID: 23125591      PMCID: PMC3470147          DOI: 10.1107/S1600536812038317

Source DB:  PubMed          Journal:  Acta Crystallogr Sect E Struct Rep Online        ISSN: 1600-5368


  5 in total

1.  The Cambridge Structural Database: a quarter of a million crystal structures and rising.

Authors:  Frank H Allen
Journal:  Acta Crystallogr B       Date:  2002-05-29

2.  A short history of SHELX.

Authors:  George M Sheldrick
Journal:  Acta Crystallogr A       Date:  2007-12-21       Impact factor: 2.290

3.  (5,10,15,20-Tetra-phenyl-porphyrinato-κN)cobalt(II)-18-crown-6 (1/1).

Authors:  Anissa Mansour; Mohamed Salah Belkhiria; Jean-Claude Daran; Habib Nasri
Journal:  Acta Crystallogr Sect E Struct Rep Online       Date:  2010-04-10

4.  The Interaction of C60, C70, and C60(CN)2 radical anions with cobalt(II) tetraphenylporphyrin in solid multicomponent complexes.

Authors:  Dmitri V Konarev; Salavat S Khasanov; Gunzi Saito; Rimma N Lyubovskaya; Yukihiro Yoshida; Akihiro Otsuka
Journal:  Chemistry       Date:  2003-08-18       Impact factor: 5.236

5.  Structure validation in chemical crystallography.

Authors:  Anthony L Spek
Journal:  Acta Crystallogr D Biol Crystallogr       Date:  2009-01-20
  5 in total

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