Information card for entry 4061324

Structure parameters

• Formula: C16 H18 B8 Fe2 O4
• Calculated formula: C16 H18 B8 Fe2 O4
• SMILES: [Fe]1234(C#[O])(C#[O])([cH]5[cH]1[cH]2[cH]3[cH]45)[C]123[BH]456[BH]781[BH]192[BH]234[BH]345[BH]567[BH]681[BH]923[C]456[Fe]1234(C#[O])(C#[O])[cH]5[cH]1[cH]2[cH]3[cH]45
• Title of publication: Metal‒Metal Communication through Carborane Cages Supporting Electroactive [η5-CpFe(CO)2] Substituents
• Authors of publication: Wedge, Timothy J.; Herzog, Axel; Huertas, Ramon; Lee, Mark W.; Knobler, Carolyn B.; Hawthorne, M. Frederick
• Journal of publication: Organometallics
• Year of publication: 2004
• Journal volume: 23
• Journal issue: 3
• Pages of publication: 482 - 489
• a: 13.781 ± 0.002 Å
• b: 12.539 ± 0.002 Å
• c: 13.112 ± 0.002 Å
• α: 90°
• β: 110.727 ± 0.003°
• γ: 90°
• Cell volume: 2119 ± 0.6 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No