Information card for entry 1101158

Structure parameters

• Formula: C40 H39 B8 Fe N O3 P2
• Calculated formula: C40 H39 B8 Fe N O3 P2
• SMILES: [Fe](C#[O])(C#[O])(C#[O])([BH]123[CH]456)([BH]178[BH]1249)([BH]72[BH]1847)([BH]241[BH]2679)[BH]1235.[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 14.99 ± 0.003 Å
• b: 14.936 ± 0.003 Å
• c: 17.66 ± 0.004 Å
• α: 90°
• β: 94.854 ± 0.01°
• γ: 90°
• Cell volume: 3939.7 ± 1.4 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Duplicate of: 4300714
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No