Information card for entry 4075825

Structure parameters

• Formula: C13 H26 B8 Ru
• Calculated formula: C13 H26 B8 Ru
• SMILES: [Ru]12345678([c]9([c]6([c]7([c]8([c]59C)C)C)C)C)([CH]567[BH]891[CH]1%102[BH]2%113[BH]346[CH]46%11[BH]%10%112[BH]281[BH]179[BH]534[BH]6%1121)
• 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: 10.141 ± 0.004 Å
• b: 14.429 ± 0.004 Å
• c: 24.061 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3521 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 4
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.1177
• Residual factor for significantly intense reflections: 0.0608
• Weighted residual factors for significantly intense reflections: 0.1251
• Weighted residual factors for all reflections included in the refinement: 0.1411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.02
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No