Information card for entry 1101159

Structure parameters

• Formula: C8 H12 B8 Fe2 O7
• Calculated formula: C8 H12 B8 Fe2 O7
• SMILES: [Fe](C#[O])(C#[O])(C#[O])([BH]123[H][BH]145[CH2]16)([B]2789([H]%10)[BH]342[BH]1534)([BH]715[H][BH]146[BH]2538)([Fe]9%10(C#[O])(C#[O])(C#[O])C#[O])
• Title of publication: Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
• Authors of publication: Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2669 - 2677
• a: 11.8803 ± 0.0004 Å
• b: 15.9624 ± 0.0007 Å
• c: 17.6111 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3339.7 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Duplicate of: 4300715
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No