Information card for entry 4334218

Structure parameters

• Formula: C34 H30 Cl4 F12 N6 Ni2 O2 P2 S2
• Calculated formula: C34 H30 Cl4 F12 N6 Ni2 O2 P2 S2
• SMILES: c1cccc2c3cccc[n]3[Ni]([n]12)(N=O)[S](c1ccccc1)[S](c1ccccc1)[Ni]1([n]2ccccc2c2cccc[n]12)N=O.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl.[P](F)(F)(F)(F)(F)[F-].C(Cl)Cl
• Title of publication: Nitric Oxide Release from a Nickel Nitrosyl Complex Induced by One-Electron Oxidation
• Authors of publication: Ashley M. Wright; Homaira T. Zaman; Guang Wu; Trevor W. Hayton
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 3207 - 3216
• a: 10.1213 ± 0.0003 Å
• b: 10.6254 ± 0.0003 Å
• c: 12.2737 ± 0.0003 Å
• α: 75.043 ± 0.002°
• β: 66.164 ± 0.002°
• γ: 67.598 ± 0.002°
• Cell volume: 1107.76 ± 0.06 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 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: 0.0565
• Residual factor for significantly intense reflections: 0.045
• Weighted residual factors for significantly intense reflections: 0.1256
• Weighted residual factors for all reflections included in the refinement: 0.1325
• Goodness-of-fit parameter for all reflections included in the refinement: 1.102
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No