Information card for entry 4118107

Structure parameters

• Chemical name: acetylacetonate bis(bipyridine) nickel (II) hexafluorophosphate
• Formula: C53 H52 Cl6 F12 N8 Ni2 O4 P2
• Calculated formula: C53 H52 Cl6 F12 N8 Ni2 O4 P2
• SMILES: [Ni]123(OC(=CC(=[O]1)C)C)([n]1ccccc1c1[n]2cccc1)[n]1ccccc1c1[n]3cccc1.[P](F)(F)(F)(F)(F)[F-].ClCCl.ClCCl
• Title of publication: Formation of N2O from a Nickel Nitrosyl: Isolation of the cis-[N2O2]2- Intermediate
• Authors of publication: Ashley M. Wright; Guang Wu; Trevor W. Hayton
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9930 - 9933
• a: 11.7637 ± 0.0018 Å
• b: 30.291 ± 0.005 Å
• c: 18.027 ± 0.003 Å
• α: 90°
• β: 104.34 ± 0.003°
• γ: 90°
• Cell volume: 6223.5 ± 1.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• 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: 0.0665
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for significantly intense reflections: 0.1389
• Weighted residual factors for all reflections included in the refinement: 0.1511
• Goodness-of-fit parameter for all reflections included in the refinement: 1.084
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No