Information card for entry 7007538

Structure parameters

• Formula: B17 H17 S2
• Calculated formula: B17 H17 S2
• SMILES: [S]123[BH]456[BH]789[BH]%10%11%12[BH]%1347[B]47%11([BH]%11%14%15[BH]%16%17%18[BH]%19%20%11[BH]%11%21%16[S]([BH]%20%11[B]26%137%15%19)[BH]2%18%21[BH]4%14%17[H]2)[BH]24%12[BH]69%10[BH]158[BH]326[H]4
• 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: 6.9385 ± 0.0002 Å
• b: 9.7324 ± 0.0003 Å
• c: 11.6406 ± 0.0005 Å
• α: 100.668 ± 0.002°
• β: 97.312 ± 0.002°
• γ: 110.388 ± 0.002°
• Cell volume: 708.23 ± 0.04 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0631
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1205
• 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