Information card for entry 7008426

Structure parameters

• Formula: C23 H29 B6 P Ru S2
• Calculated formula: C23 H29 B6 P Ru S2
• SMILES: [Ru]12345([P](c6ccccc6)(c6ccccc6)c6ccccc6)([S]6[BH]789[BH]%10%11([S]1[BH]1%12%11[BH]%117%10[BH]71([BH]68%11[H]7)[H]%12)[H]9)[cH]1[cH]2[cH]3[cH]4[cH]51
• Title of publication: Coordination and cluster compounds of ruthenium with the [hypho-1,2-S2B6H9]- ligand.
• Authors of publication: Ferguson, George; Gallagher, John F.; Kennedy, John D.; McCarthy, Donogh M.; Spalding, Trevor R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 11
• Pages of publication: 1979 - 1984
• a: 9.482 ± 0.002 Å
• b: 14.275 ± 0.005 Å
• c: 9.753 ± 0.002 Å
• α: 90°
• β: 93.49 ± 0.02°
• γ: 90°
• Cell volume: 1317.7 ± 0.6 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0421
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0863
• Weighted residual factors for all reflections included in the refinement: 0.0896
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No