Information card for entry 4300712

Structure parameters

• Formula: C44 H41 B8 Fe2 N O7 P2
• Calculated formula: C44 H41 B8 Fe2 N O7 P2
• SMILES: [Fe]123([Fe]([B]4561[BH]178[BH]9%10%11[BH]%1241[BH]1%11([CH2]%10[BH]479[H][BH]3684)[H][BH]25%121)(C#[O])(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].N([P+](c1ccccc1)(c1ccccc1)c1ccccc1)=P(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: 16.2454 ± 0.0012 Å
• b: 56.345 ± 0.004 Å
• c: 16.3333 ± 0.0013 Å
• α: 90°
• β: 113.414 ± 0.004°
• γ: 90°
• Cell volume: 13719.6 ± 1.8 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
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No