Synthesis, Crystal Structure and Bond Situation of [Co 7 Se 7 Cp 3 (CO) 4 ] (Cp = Cyclopentadienyl) | Zendy

Koenig Sven | Zendy; Fenske Dieter | Zendy; Weigend Florian | Zendy

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Synthesis, Crystal Structure and Bond Situation of [Co 7 Se 7 Cp 3 (CO) 4 ] (Cp = Cyclopentadienyl)

Author(s) -

Koenig Sven,

Fenske Dieter,

Weigend Florian

Publication year - 2009

Publication title -

zeitschrift für anorganische und allgemeine chemie

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.354

H-Index - 66

eISSN - 1521-3749

pISSN - 0044-2313

DOI - 10.1002/zaac.200900134

Subject(s) - cyclopentadienyl complex , monoclinic crystal system , crystallography , crystal structure , chemistry , cobalt , stereochemistry , cluster (spacecraft) , molecule , catalysis , inorganic chemistry , biochemistry , computer science , programming language , organic chemistry

The reaction of Se(SiMe 3 ) 2 with [CpCo(CO) 2 ] (Cp = cyclopentadienyl) led to the formation of the new chalkogenido‐bridged cobalt cluster compound [Co 7 Se 7 Cp 3 (CO) 4 ] ( 1 ). The compound crystallizes as dark violet needles that are suitable for X‐ray structural analysis. Space group P 2 1 / n , monoclinic; Z = 4; lattice dimensions /Å: a = 10.321(2), b = 15.860(3), c = 18.436(4); β = 100.57(3)°; V = 2966.7(10) Å 3 ; R 1 = 0.0411. The molecular structure of the compound features a distorted hexagonal prism. The bond situation was investigated by density functional calculations and subsequent transformation to localized molecular orbitals.

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