Information card for entry 4075824

Structure parameters

• Formula: C8 H16 B8 Fe
• Calculated formula: C8 H16 B8 Fe
• SMILES: [Fe]12345678([CH]9%10%11[CH]%12%131[BH]1%142[CH]2%153[BH]349[BH]49%15[BH]%15%142[BH]2%131[BH]1%10%12[BH]%1134[BH]9%1521)[cH]1[cH]8[cH]7[cH]6[cH]51
• Title of publication: Ferra- and Ruthenatricarbollides CpFeC3B8H11and Cp*RuC3B8H11
• Authors of publication: Perekalin, Dmitry S.; Holub, Josef; Golovanov, Denis G.; Lyssenko, Konstantin A.; Petrovskii, Pavel V.; Štíbr, Bohumil; Kudinov, Alexander R.
• Journal of publication: Organometallics
• Year of publication: 2005
• Journal volume: 24
• Journal issue: 18
• Pages of publication: 4387
• a: 6.7971 ± 0.0012 Å
• b: 9.9299 ± 0.0018 Å
• c: 17.569 ± 0.003 Å
• α: 90°
• β: 91.42 ± 0.004°
• γ: 90°
• Cell volume: 1185.4 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• 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: 0.0723
• Residual factor for significantly intense reflections: 0.0425
• Weighted residual factors for significantly intense reflections: 0.075
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 0.935
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No