Information card for entry 4305844

Structure parameters

• Formula: C22 H35 B8 Cl Fe O2 P2
• Calculated formula: C22 H35 B8 Cl Fe O2 P2
• SMILES: ClC[P]([B]1234[BH]567[CH]89[BH]%10%11%12[BH]%1358[BH]58%12[Fe]2%11([P](CC)(CC)CC)([BH]169%10)([BH]48[BH]37%135)(C#[O])C#[O])(c1ccccc1)c1ccccc1
• 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: 14.614 ± 0.002 Å
• b: 11.3593 ± 0.0011 Å
• c: 17.131 ± 0.002 Å
• α: 90°
• β: 103.582 ± 0.006°
• γ: 90°
• Cell volume: 2764.3 ± 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0403
• Residual factor for significantly intense reflections: 0.0321
• Weighted residual factors for significantly intense reflections: 0.0806
• Weighted residual factors for all reflections included in the refinement: 0.0861
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No