Information card for entry 4318979

Structure parameters

• Common name: compound 11
• Formula: C65 H62 Cl2 N4 Ni O8
• Calculated formula: C65 H60 Cl2 N4 Ni O8
• 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: 22.839 ± 0.012 Å
• b: 17.915 ± 0.009 Å
• c: 16.124 ± 0.008 Å
• α: 90°
• β: 122.03 ± 0.009°
• γ: 90°
• Cell volume: 5593 ± 5 ų
• Cell temperature: 90 ± 2 K
• Ambient diffraction temperature: 90 ± 2 K
• Number of distinct elements: 6
• 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: 0.1188
• Residual factor for significantly intense reflections: 0.0993
• Weighted residual factors for significantly intense reflections: 0.2043
• Weighted residual factors for all reflections included in the refinement: 0.2111
• Goodness-of-fit parameter for all reflections included in the refinement: 1.229
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No