Information card for entry 4343249

Structure parameters

• Formula: C20 H24 K N4 O7 Ru
• Calculated formula: C20 H18 K N4 O7 Ru
• SMILES: C[O]1c2c3c(ccc2)C=[N]2CC[N]4=Cc5c6c(ccc5)[O](C)[K]51([O]3[Ru]24(C#N)(C#N)[O]65)([OH2])[OH2].O
• Title of publication: [Ru(III)(valen)(CN)2](-): a New Building Block To Design 4d-4f Heterometallic Complexes.
• Authors of publication: Marinescu, Gabriela; Maxim, Catalin; Clérac, Rodolphe; Andruh, Marius
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 12
• Pages of publication: 5621 - 5623
• a: 8.8516 ± 0.0005 Å
• b: 12.3131 ± 0.0006 Å
• c: 21.2911 ± 0.0007 Å
• α: 90°
• β: 91.237 ± 0.003°
• γ: 90°
• Cell volume: 2319.99 ± 0.19 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1484
• Residual factor for significantly intense reflections: 0.0856
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No