Information card for entry 7110643

Structure parameters

• Chemical name: (Ph4As)2[Ru(S2C2(CN)2]3
• Formula: C60 H40 As2 N6 Ru S6
• Calculated formula: C60 H40 As2 N6 Ru S6
• SMILES: [As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.C1(S[Ru]23(SC=1C#N)(SC(=C(S3)C#N)C#N)SC(C#N)=C(S2)C#N)C#N.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: A ruthenium(IV) complex with six sulfur donor atoms
• Authors of publication: Maiti, Rabindranath; Shang, Maoyu; Graham Lappin, A.
• Journal of publication: Chemical Communications
• Year of publication: 1999
• Journal issue: 23
• Pages of publication: 2349
• a: 20.399 ± 0.002 Å
• b: 15.674 ± 0.002 Å
• c: 18.02 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5761.6 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.0898
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for all reflections: 0.1124
• Weighted residual factors for significantly intense reflections: 0.0999
• Goodness-of-fit parameter for all reflections: 0.984
• Goodness-of-fit parameter for significantly intense reflections: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No