Information card for entry 7060004

Structure parameters

• Formula: Cl2 F H12 N5 O9 Ru
• Calculated formula: Cl2 F H12 N5 O9 Ru
• SMILES: [Ru](F)(N=O)([NH3])([NH3])([NH3])[NH3].Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: The impact of counterion on the metastable state properties of nitrosyl ruthenium complexes
• Authors of publication: Mikhailov, Artem A.; Komarov, Vladislav Yu.; Sukhikh, Aleksandr S.; Pishchur, Denis P.; Schaniel, Dominik; Kostin, Gennadiy A.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2020
• Journal volume: 44
• Journal issue: 41
• Pages of publication: 18014 - 18024
• a: 8.0038 ± 0.0005 Å
• b: 11.8995 ± 0.0005 Å
• c: 13.8054 ± 0.0008 Å
• α: 70.72 ± 0.002°
• β: 86.091 ± 0.002°
• γ: 88.04 ± 0.002°
• Cell volume: 1238.12 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0586
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0988
• Weighted residual factors for all reflections included in the refinement: 0.1088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No