Information card for entry 2108541

Structure parameters

• Formula: F7 H12 N5 O Ru Si
• Calculated formula: F7 H12 N5 O Ru Si
• SMILES: [Si](F)(F)(F)(F)([F-])[F-].[Ru]([NH3])(F)([NH3])(N=O)([NH3])[NH3]
• Title of publication: Combining photoinduced linkage isomerism and nonlinear optical properties in ruthenium nitrosyl complexes
• Authors of publication: Mikhailov, Artem; Vuković, Vedran; Kijatkin, Christian; Wenger, Emmanuel; Imlau, Mirco; Woike, Theo; Kostin, Gennadiy; Schaniel, Dominik
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 6
• a: 6.7036 ± 0.0004 Å
• b: 7.426 ± 0.0004 Å
• c: 10.1296 ± 0.0007 Å
• α: 90°
• β: 107.469 ± 0.006°
• γ: 90°
• Cell volume: 481 ± 0.05 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0237
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0472
• Weighted residual factors for all reflections included in the refinement: 0.0488
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0232
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes