Information card for entry 4061732

Structure parameters

• Formula: C25 H23 B7 Cu Fe2 O6 P
• Calculated formula: C25 H23 B7 Cu Fe2 O6 P
• SMILES: [CH]123[BH]456[BH]781[BH]192[BH]234[BH]349[B]9%10%1181[Fe]157([BH]623[Fe]24%101(C(=O)[Cu]%112([H]9)[P](c1ccccc1)(c1ccccc1)c1ccccc1)(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• 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: 10.3282 ± 0.0008 Å
• b: 12.3809 ± 0.0009 Å
• c: 13.1265 ± 0.001 Å
• α: 69.2 ± 0.004°
• β: 85.465 ± 0.004°
• γ: 65.84 ± 0.003°
• Cell volume: 1427.35 ± 0.19 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