Information card for entry 4305846

Structure parameters

• Formula: C25 H21 B8 Co2 Fe O9 P
• Calculated formula: C25 H21 B8 Co2 Fe O9 P
• SMILES: [Co]12([Co]3([C]1([P]([B]1456[BH]789[CH]%10%11[BH]%12%137[BH]7%14%11[BH]18%10[BH]157[BH]5%13%14[Fe]49%12([BH]615)(C#[O])(C#[O])C#[O])(c1ccccc1)c1ccccc1)=[C]23C)(C#[O])(C#[O])C#[O])(C#[O])(C#[O])C#[O]
• Title of publication: Formation of Intramolecular Rings in Ferramonocarbollide Complexes
• Authors of publication: Andreas Franken; Bruce E. Hodson; Thomas D. McGrath; F. Gordon A. Stone
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 8788 - 8797
• a: 10.9431 ± 0.001 Å
• b: 25.772 ± 0.003 Å
• c: 12.2708 ± 0.0013 Å
• α: 90°
• β: 116.374 ± 0.005°
• γ: 90°
• Cell volume: 3100.5 ± 0.6 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
• Residual factor for all reflections: 0.0799
• Residual factor for significantly intense reflections: 0.046
• Weighted residual factors for significantly intense reflections: 0.0896
• Weighted residual factors for all reflections included in the refinement: 0.1059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No