Information card for entry 4061734

Structure parameters

• Formula: C9 H13 B7 Fe2 O6 S
• Calculated formula: C9 H13 B7 Fe2 O6 S
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[BH]349[B]981([Fe]157([BH]623[Fe]491(C#[O])(C#[O])C#[O])(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: 14.847 ± 0.002 Å
• b: 14.354 ± 0.002 Å
• c: 16.395 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3493.9 ± 0.9 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No