Information card for entry 4061735

Structure parameters

• Formula: C10 H19 B7 Fe2 O5 S2
• Calculated formula: C10 H19 B7 Fe2 O5 S2
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[BH]349[B]981([Fe]157([S](C)C)(C#[O])(C#[O])[BH]623[Fe]491(C#[O])(C#[O])C#[O])[S](C)C
• Title of publication: Synthesis and Reactivity of the Nine- and Ten-Vertex Iron-Monocarborane Anions [7,7,7-(CO)~3~-closo-7,1-FeCB~7~H~8~]- and [6,6,6,10,10,10-(CO)~6~-closo-6,1-FeCB~7~H~8~]-
• Authors of publication: Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Organometallics
• Year of publication: 2005
• a: 8.002 ± 0.004 Å
• b: 8.815 ± 0.005 Å
• c: 15.159 ± 0.008 Å
• α: 84.306 ± 0.013°
• β: 82.306 ± 0.012°
• γ: 67.586 ± 0.013°
• Cell volume: 978.3 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No