Information card for entry 4326918

Structure parameters

• Chemical name: eta-6-methoxybenzene nitrosyl nickel hexafluorophosphate
• Formula: C7 H8 F6 N Ni O2 P
• Calculated formula: C7 H8 F6 N Ni O2 P
• SMILES: [Ni]12345(N=O)[cH]6[cH]1[c]2([cH]3[cH]5[cH]46)OC.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Late-Metal Nitrosyl Cations: Synthesis and Reactivity of [Ni(NO)(MeNO2)3][PF6]
• Authors of publication: Ashley M. Wright; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 11746 - 11753
• a: 10.1766 ± 0.0006 Å
• b: 9.5538 ± 0.0006 Å
• c: 12.494 ± 0.0007 Å
• α: 90°
• β: 110.257 ± 0.001°
• γ: 90°
• Cell volume: 1139.6 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0336
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.083
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No