Information card for entry 4061730

Structure parameters

• Formula: C43 H38 B7 Fe2 N O6 P2
• Calculated formula: C43 H38 B7 Fe2 N O6 P2
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[BH]349[BH]981[Fe]157([BH]623[Fe]491(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O].[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• 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: 16.6125 ± 0.0019 Å
• b: 13.5446 ± 0.0017 Å
• c: 19.846 ± 0.003 Å
• α: 90°
• β: 105.643 ± 0.006°
• γ: 90°
• Cell volume: 4300.2 ± 0.9 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/c 1
• Hall space group symbol: -P 2ybc
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No