Bis(μ-benzoato-κ2O:O′)bis­(benzoato-κO)octabutyldi-μ3-oxido-tetra­tin(IV)

Acta Crystallographica Section E: Crystallographic Communications

Okio, C.K.Y.A.¹  Reuter, H.² 

[1] Departamento de Química, Facultad de Ciencias, Universidad Nacional de Colombia, Carerra 30 No 45-03, Bogotá, Colombia;Institute of Chemistry of New Materials, University of Osnabrück, Barbarastrasse 7, 49069 Osnabrück, Germany

关键词: CRYSTAL STRUCTURE;    DICARBOXYLATE;    TETRAORGANODISTANNOXANE;    LADDER STRUCTURE;   

DOI  :  10.1107/S2056989017001505

学科分类：数学（综合）

来源: International Union of Crystallography

【 摘 要 】

The asymmetric unit of the title compound, [{Sn(C4H9)2(C6H5COO)}2O]2, consists of two half molecules, completed by application of inversion symmetry. Both mol­ecules adopt a ladder structure typical for this class of dimeric tetra­organodistannoxane di­carboxyl­ates characterized by a centrosymmetric four-membered (Sn—O)2 ring of rhomboidal shape that is extended on both sides by folded six-membered Sn—O—C rings. To a first approximation, both kinds of Sn atoms (Sni and Sno) are trigonal–bipyramidally coordinated. The bond angles between the n-butyl groups are widened [135.64 (7)–146.20 (7)°] in comparison with an ideal trigonal bipyramid. Sn—O bond lengths within the {R2SnO3} coordination sphere depend strongly on the position of the corresponding O atom – axial (ax) or equatorial (eq) – as well as on the functionality of the carboxyl­ate groups which exhibit μ2 (–COOi) and μ1 (–COOo) coordination modes, respectively. In summary, the following sequence of distances [mean values] is found: d(Sno—Oμ3)eq [2.024 (2) Å] < d(Sni—Oμ3)eq [2.044 (2) Å] < d(Sni—Oμ3)ax [2.158 (6) Å] < d(Sno—Oμ1-carb)ax [2.182 (6) Å] < d(Sni—Oμ2-carb)ax [2.250 (2) Å] ≃ d(Sno—Oμ2-carb)ax [2.247 (12) Å]. The n-butyl groups adopt an anti–anti conformation with exception of two disordered outer n-butyl groups of the second mol­ecule which exhibit gauche–anti and anti–gauche conformations. Weak intra­molecular Sn⋯O inter­actions between the different O atoms of the outer carboxyl groups with the inner, as well as outer, Sn atoms give rise to a strongly distorted octa­hedral coordination at these Sn atoms. Inter­molecular inter­actions between the individual mol­ecules are restricted to van der Waals and O⋯H—C inter­actions of which a nearly linear very short C—H⋯O contact between the H atom of the phenyl group of one of the mol­ecules with the outer non-coordinating C=O group of the other molecule is the most prominent. It gives rise to a chain-like arrangement of the mol­ecules along [111]. The two n-butyl groups attached to the outer Sn atom of one mol­ecule are disordered over two sets of sites with occupancies of 0.806 (3)/0.194 (3) and 0.702 (3)/0.298 (3).

【 授权许可】

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