Information card for entry 7000453

Structure parameters

• Common name: (Ru(NO)Cl2(L-HisH-1))
• Formula: C6 H8 Cl2 N4 O3 Ru
• Calculated formula: C6 H8 Cl2 N4 O3 Ru
• SMILES: [Ru]12(Cl)(Cl)(OC(=O)[C@@H]([NH2]1)Cc1[n]2c[nH]c1)N=O
• Title of publication: Photoinduced linkage isomerism of {RuNO}6 complexes with bioligands and related chelators
• Authors of publication: Zangl, Anna; Klüfers, Peter; Schaniel, Dominik; Woike, Theo
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 6
• Pages of publication: 1034 - 1045
• a: 8.2032 ± 0.0002 Å
• b: 10.7355 ± 0.0003 Å
• c: 12.9656 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1141.82 ± 0.05 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0243
• Residual factor for significantly intense reflections: 0.0215
• Weighted residual factors for significantly intense reflections: 0.0437
• Weighted residual factors for all reflections included in the refinement: 0.0449
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No