Information card for entry 7007539

Structure parameters

• Formula: C10 H30 B16 Ru S2
• Calculated formula: C10 H30 B16 Ru S2
• SMILES: [Ru]123456789([S]%10[BH]%11%127[BH]7%136[BH]6%14%11[BH]%11%157[BH]78%13[B]8%13%16%11([BH]%11%17%18[BH]%19%20%21[BH]%22%23%11[BH]%11%24%19[S]([BH]%23%11[B]97%13%18%22)[BH]%21%24[BH]8%17%20[H]%16)[BH]7%14%15[BH]%10%126[H]7)[cH]6[cH]1[c]2(C)[cH]3[cH]4[c]56C(C)C
• Title of publication: Macropolyhedral boron-containing cluster chemistry. Metallathiaboranes from S2B17H17: isolation and characterisation of [(eta6-MeC6H4isoPr)RuS2B16H16] and [(eta6-MeC6H4isoPr)RuS2B15H15].
• Authors of publication: Carr, Michael J.; Londesborough, Michael G. S.; Hamilton Mcleod, Alexander R.; Kennedy, John D.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 30
• Pages of publication: 3624 - 3626
• a: 10.0903 ± 0.0002 Å
• b: 14.9157 ± 0.0002 Å
• c: 15.945 ± 0.0003 Å
• α: 90°
• β: 110.7 ± 0.006°
• γ: 90°
• Cell volume: 2244.86 ± 0.11 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0426
• Residual factor for significantly intense reflections: 0.0361
• Weighted residual factors for significantly intense reflections: 0.09
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No