Information card for entry 7055838

Structure parameters

• Chemical name: chloride dichloroaquadipyridinenitrosylruthenium
• Formula: C10 H12 Cl3 N3 O2 Ru
• Calculated formula: C10 H12 Cl3 N3 O2 Ru
• SMILES: [Ru](Cl)(Cl)([n]1ccccc1)([n]1ccccc1)([OH2])N=O.[Cl-]
• Title of publication: Synthesis and crystal structure of nitrosoruthenium complexes cis-[Ru(NO)Py2Cl2(OH)] and cis-[Ru(NO)Py2Cl2(H2O)]Cl. Photoinduced transformations of cis-[Ru(NO)Py2Cl2(OH)]
• Authors of publication: Makhinya, Alexander N.; Il’in, Maxim A.; Yamaletdinov, Ruslan D.; Korolkov, Ilya V.; Baidina, Iraida A.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 12
• Pages of publication: 10267
• a: 12.4068 ± 0.0003 Å
• b: 14.0336 ± 0.0003 Å
• c: 16.9426 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2949.91 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0319
• Residual factor for significantly intense reflections: 0.0234
• Weighted residual factors for significantly intense reflections: 0.0838
• Weighted residual factors for all reflections included in the refinement: 0.0941
• Goodness-of-fit parameter for all reflections included in the refinement: 0.732
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No