Information card for entry 7224985

Structure parameters

• Formula: C36 H66 B Cl F4 N O P2 Ru
• Calculated formula: C36 H66 B Cl F4 N2 O2 P2 Ru
• Title of publication: Photo-induced linkage NO isomers in the dinitrosyl complex [Ru(NO)2(PCy3)2Cl](BF4) identified by photocrystallography and IR-spectroscopy
• Authors of publication: Casaretto, N.; Fournier, B.; Pillet, S.; Bendeif, E. E.; Schaniel, D.; Gallien, A. K. E.; Klüfers, P.; Woike, T.
• Journal of publication: CrystEngComm
• Year of publication: 2016
• Journal volume: 18
• Journal issue: 38
• Pages of publication: 7260
• a: 10.1327 ± 0.0005 Å
• b: 13.1142 ± 0.0006 Å
• c: 16.2637 ± 0.0007 Å
• α: 80.616 ± 0.004°
• β: 84.703 ± 0.004°
• γ: 68.575 ± 0.005°
• Cell volume: 1983.63 ± 0.17 ų
• Cell temperature: 10 ± 5 K
• Ambient diffraction temperature: 10 ± 5 K
• Number of distinct elements: 9
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0497
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.085
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No