Information card for entry 7101214

Structure parameters

• Common name: [Ru(NH3)4(H2O)(SO2)][CH3C6H4SO3]2
• Formula: C14 H28 N4 O9 Ru S3
• Calculated formula: C14 H28 N4 O9 Ru S3
• SMILES: [Ru]([S](=O)=O)([NH3])([NH3])([NH3])([NH3])[OH2].S(=O)(=O)([O-])c1ccc(cc1)C.S(=O)(=O)([O-])c1ccc(cc1)C
• Title of publication: Photocrystallographic structure determination of a new geometric isomer of [Ru(NH3)4(H2O)(η1-OSO)][MeC6H4SO3]2
• Authors of publication: Bowes, Katharine F.; Cole, Jacqueline M.; Husheer, Shamus L. G.; Raithby, Paul R.; Savarese, Teresa L.; Sparkes, Hazel A.; Teat, Simon J.; Warren, John E.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2006
• Journal issue: 23
• Pages of publication: 2448 - 2450
• a: 6.67 ± 0.003 Å
• b: 13.076 ± 0.005 Å
• c: 13.586 ± 0.005 Å
• α: 94.352 ± 0.004°
• β: 92.738 ± 0.004°
• γ: 103.482 ± 0.004°
• Cell volume: 1146.4 ± 0.8 ų
• Cell temperature: 13 ± 2 K
• Ambient diffraction temperature: 13 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0341
• Residual factor for significantly intense reflections: 0.0287
• Weighted residual factors for significantly intense reflections: 0.0675
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.6896 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No