Information card for entry 7008428

Structure parameters

• Formula: C23 H33 B6 P Ru S2
• Calculated formula: C23 H33 B6 P Ru S2
• SMILES: [Ru]12345678([S]9[BH]%10%112[BH]2%123[S]1[BH]1%12[BH]3%102[BH]1([P](c1ccccc1)(c1ccccc1)C)[BH]9%113)[c]1([cH]8[cH]7[c]6([cH]5[cH]41)C)C(C)C
• 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: 11.043 ± 0.001 Å
• b: 10.1578 ± 0.0007 Å
• c: 24.528 ± 0.002 Å
• α: 90°
• β: 94.168 ± 0.007°
• γ: 90°
• Cell volume: 2744.1 ± 0.4 ų
• Cell temperature: 294 ± 1 K
• Ambient diffraction temperature: 294 ± 1 K
• Number of distinct elements: 6
• 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: 0.0898
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1036
• Weighted residual factors for all reflections included in the refinement: 0.1255
• Goodness-of-fit parameter for all reflections included in the refinement: 0.986
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MolybdenumKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No