Information card for entry 4313917

Structure parameters

• Chemical name: tris(tetraphenylarsonium)hexacyanoruthenate(III) dihydrate
• Formula: C78 H64 As3 N6 O2 Ru
• Calculated formula: C78 H60 As3 N6 O2 Ru
• SMILES: [Ru](C#N)(C#N)(C#N)(C#N)(C#N)C#N.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.[As+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O.O
• Title of publication: Isolation and Molecular Structure of Hexacyanoruthenate(III)
• Authors of publication: Jesper Bendix; Poul Steenberg; Inger Søtofte
• Journal of publication: Inorganic Chemistry
• Year of publication: 2003
• Journal volume: 42
• Pages of publication: 4510 - 4512
• a: 11.346 ± 0.002 Å
• b: 23.107 ± 0.005 Å
• c: 25.015 ± 0.005 Å
• α: 90°
• β: 99.55 ± 0.03°
• γ: 90°
• Cell volume: 6467 ± 2 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1896
• Residual factor for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections: 0.1039
• Weighted residual factors for significantly intense reflections: 0.0799
• Goodness-of-fit parameter for all reflections: 0.925
• Goodness-of-fit parameter for significantly intense reflections: 1.094
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No