Information card for entry 4061731

Structure parameters

• Formula: C22 H23 B7 Cu Fe O3 P
• Calculated formula: C22 H23 B7 Cu Fe O3 P
• SMILES: [Fe]12345(C#[O])(C#[O])(C#[O])[BH]678[CH]9%10[BH]%11%126[BH]6%139[BH]17%10[BH]4%13[B]142%116[H][Cu]254([B]38%121[H]2)[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: 14.9313 ± 0.0018 Å
• b: 15.151 ± 0.002 Å
• c: 22.761 ± 0.003 Å
• α: 90°
• β: 103.502 ± 0.005°
• γ: 90°
• Cell volume: 5006.8 ± 1.1 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