Information card for entry 4061729

Structure parameters

• Formula: C58 H53 Ag B7 Fe O3 P3
• Calculated formula: C58 H53 Ag B7 Fe O3 P3
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[BH]39[Fe]481([BH]57[BH]6234)(C#[O])(C#[O])C#[O].[Ag]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)[P](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: 11.4489 ± 0.0007 Å
• b: 13.3757 ± 0.0008 Å
• c: 19.6269 ± 0.0012 Å
• α: 86.029 ± 0.003°
• β: 75.552 ± 0.002°
• γ: 67.204 ± 0.002°
• Cell volume: 2681.9 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No