William M. Maxwell scite author profile

A metallocarborane of novel structure, (CHa^QBgHgFeCojTjNCsHs), has been synthesized and structurally characterized from nB and FT NMR, mass spectroscopic, infrared, and single-crystal x-ray diffraction data. The dark green crystals are monoclinic, space group P2\, with two molecules per unit cell and a = 7.203 (4) A,b = 14.77 (2) Á, c = 8.830 (2) Á, and ß = 99.7 (1)°(pCaicd = 1.38, p0bsd = 1.38 g cm-3). The structure was solved by the heavy-atom method and refined by full-matrix least-squares procedures to a final R value of 0.069 and = 0.081 for the 1657 reflections for which F02 > 3 ( 0)2• The molecule contains a direct iron-cobalt bond and consists of two pentagonal bipyramidal units fused at a common iron atom with an additional BH group capping triangular faces on both polyhedra simultaneously. The structure is explained in terms of a shortage of two electrons in the cage framework, relative to the normal requirement for polyhedral clusters, which causes one BH group to adopt a capping location. These results are discussed in relation to the known structures of two osmium carbonyls and a diiron metallocarborane. Table III. Bond Angles (deg) Co-Fe-C(5') 160.3(1) Co-Fe-C(4') 148.6(2) Co-Fe-C(4) 80.5 (2) Co-Fe-C(5) 80.5 (2) Co-Fe-B(6') 116.8(2) Co-Fe-B(2') 91.3(2) Co-Fe-B(37) 107.0(2) Co-Fe-B(6) 49.5 (2) Co-Fe-B(8) 54.0 (2)Co-Fe-B(3) 49.3 (2) C(57)-Fe-C(47) 40.8 (2) C( 57)-Fe-C(4) 117.8(2)C(5')-Fe-C(5)108.0(2) C(5')-Fe-B(67) 43.6 (2) C(5')-Fe-B( 27) 74.6 (2) C(5')-Fe-B(3') 73.7 (2) C( 5')-Fe-B(6) 124.7(2) C(5')-Fe-B(8) 106.5 (3) C(5')-Fe-B(3) 149.1 (3) C(4')-Fe-C(4) 100.7 (2) C(4')-Fe-C(5) 121.1 (2) C(4')-Fe-B(67) 72.8 (3) C(47)-Fe-B(27) 74.6 ( 2) C(4')-Fe-B(37) 43.4 (2) C(4')-Fe-B(6) 161.5(2) C(47)-Fe-B(8) 132.7(3) B(6)-Fe-B(8) 54.6 (3) B(6)-Fe-B(3) 80.6 (3) B(8)-Fe-B(3) 102.9(3) Fe-Co-C(ll) 121.5(2) Fe-Co-C(l 2) 121.7(2) Fe-Co-C(13) 145.5(3) Fe-Co-C(14) 172.9(2) Fe-Co-C(15) 144.2(3) Fe-Co-B(6) 55.7 (2) Fe-Co-B(8) 48.8 (2) Fe-Co-B(7) 73.3 (2) Fe-Co-B(3) 54.3 (2) C( 11 )-Co-C(l 2) 38.7(3) C(1 l)-Co-C(13) 65.4(3) C(ll)-Co-C(14) 64.9(3) C(11 )-Co-C(l 5) 39.1(3) C(ll)-Co-B(6) 128.0(4) C(1 l)-Co-B(8) 84.1(3) C(1 l)-Co-B(7) 164.5(3) C(1 l)-Co-B(3) 135.3(5) C(12)-Co-C(13) 39.8(3) C(12)-Co-C(14) 65.1 (3) Recently we suggested that formation of chain inverted

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Synthesis and structure of a cobaltocenium cobaltacarborane zwitterion. Cobaltocenium and tetrahydrofuran derivatives of nido,closo-[2,3-(CH3)2C2B3H5]CoH[2,3-(CH3)2C2B4H4]

Pipal¹,

Maxwell²,

Grimes³

1978

Inorg. Chem.

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Tetracarbon metallacarboranes. 7. Cobalt systems derived from (CH3)4C4B8H8. Synthesis and interconversion of 11-, 12-, and 13-vertex nido cages

Maxwell¹,

Grimes²

1979

Inorg. Chem.

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