Information card for entry 7009444

Structure parameters

• Formula: C4 H18 Cl3 N5 O2 Ru
• Calculated formula: C4 H18 Cl3 N5 O2 Ru
• SMILES: [Ru]12(N=O)([OH2])([NH2]CC[NH2]1)[NH2]CC[NH2]2.[Cl-].[Cl-].[Cl-]
• Title of publication: X-Ray diffraction and spectroscopic studies of the light-induced metastable state of a ethylenediamine nitrosyl ruthenium complex
• Authors of publication: Kawano, Masaki; Ishikawa, Ayako; Morioka, Yoshiyuki; Tomizawa, Hiroshi; Miki, Ei-ichi; Ohashi, Yuji
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2425
• a: 15.4564 ± 0.0003 Å
• b: 8.4266 ± 0.0002 Å
• c: 10.056 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1309.74 ± 0.05 ų
• Cell temperature: 106 ± 2 K
• Ambient diffraction temperature: 106 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0184
• Residual factor for significantly intense reflections: 0.0152
• Weighted residual factors for significantly intense reflections: 0.0316
• Weighted residual factors for all reflections included in the refinement: 0.0322
• Goodness-of-fit parameter for all reflections included in the refinement: 0.981
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No