Information card for entry 1542771

Structure parameters

• Formula: C36 H30 B Cl F4 N2 O2 P2 Ru
• Calculated formula: C36 H30 B Cl F4 N2 O2 P2 Ru
• SMILES: [Ru]([P](c1ccccc1)(c1ccccc1)c1ccccc1)([P](c1ccccc1)(c1ccccc1)c1ccccc1)(Cl)(N=O)N=O.[B](F)(F)(F)[F-]
• Title of publication: Multiple light-induced NO linkage isomers in the dinitrosyl complex [RuCl(NO)~2~(PPh~3~)~2~]BF~4~ unravelled by photocrystallographic and IR analysis
• Authors of publication: Casaretto, Nicolas; Pillet, Sebastien; Bendeif, El Eulmi; Schaniel, Dominik; Gallien, Anna K. E.; Klüfers, Peter; Woike, Theo
• Journal of publication: IUCrJ
• Year of publication: 2015
• Journal volume: 2
• Journal issue: 1
• Pages of publication: 35 - 44
• a: 19.0673 ± 0.0006 Å
• b: 9.8391 ± 0.0002 Å
• c: 20.5654 ± 0.0006 Å
• α: 90°
• β: 117.58 ± 0.004°
• γ: 90°
• Cell volume: 3419.8 ± 0.2 ų
• Cell temperature: 10 ± 5 K
• Ambient diffraction temperature: 10 ± 5 K
• Number of distinct elements: 9
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0275
• Weighted residual factors for significantly intense reflections: 0.0625
• Weighted residual factors for all reflections included in the refinement: 0.0663
• Goodness-of-fit parameter for all reflections included in the refinement: 1.059
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No