Information card for entry 4318978

Structure parameters

• Common name: Compound 6
• Chemical name: Ni(II) 5,10,15,20-tetra(hexafluoropropyl)porphyrin
• Formula: C32 H8 F28 N4 Ni
• Calculated formula: C32 H8 F28 N4 Ni
• Title of publication: Influence of Electronic and Structural Effects on the Oxidative Behavior of Nickel Porphyrins
• Authors of publication: Karl M. Kadish; Min Lin; Eric Van Caemelbecke; Guido De Stefano; Craig J. Medforth; Daniel J. Nurco; Nora Y. Nelson; Bénédicte Krattinger; Cinzia M. Muzzi; Laurent Jaquinod; Yang Xu; David C. Shyr; Kevin M. Smith; John A. Shelnutt
• Journal of publication: Inorganic Chemistry
• Year of publication: 2002
• Journal volume: 41
• Pages of publication: 6673 - 6687
• a: 21.328 ± 0.004 Å
• b: 16.957 ± 0.003 Å
• c: 21.573 ± 0.004 Å
• α: 90°
• β: 118.82 ± 0.03°
• γ: 90°
• Cell volume: 6836 ± 3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0781
• Residual factor for significantly intense reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.1615
• Weighted residual factors for all reflections included in the refinement: 0.1715
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No