Information card for entry 1101157

Structure parameters

• Formula: C40 H39 B8 Fe N O3 P2
• Calculated formula: C40 H39 B8 Fe N O3 P2
• SMILES: [Fe](C#[O])(C#[O])(C#[O])([CH]12[BH]3456)([BH]137[BH]4138)([BH]174[BH]317)([BH]143[BH]6781)([BH]1235).[P+](N=P(c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Ten-Vertex Iron‒Monocarborane Complexes: Synthesis and Reactivity of the Anion [4,9-{Fe(CO)~4~}-9,9,9-(CO)~3~-arachno-9,6-FeCB~8~H~11~]^-^
• Authors of publication: Franken, Andreas; McGrath, Thomas D.; Stone, F. Gordon A.
• Journal of publication: Inorganic Chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 6
• Pages of publication: 2669 - 2677
• a: 11.6121 ± 0.0006 Å
• b: 11.7781 ± 0.0006 Å
• c: 14.4449 ± 0.0008 Å
• α: 80.587 ± 0.002°
• β: 85.802 ± 0.002°
• γ: 82.398 ± 0.002°
• Cell volume: 1929.19 ± 0.18 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
• Duplicate of: 4300713
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No