Information card for entry 4116989

Structure parameters

• Formula: C68 H61 Cl8 N11 Ni O20
• Calculated formula: C72 H30 Cl8 N12 Ni O18
• Title of publication: New Metalloporphyrins with Extremely Altered Redox Properties: Synthesis, Structure, and Facile Reduction to Air-Stable π-Anion Radicals of Zinc and Nickel β-Heptanitroporphyrins
• Authors of publication: Karine Ozette; Philippe Leduc; Magali Palacio; Jean-Francois Bartoli; Kathleen M. Barkigia; Jack Fajer; Pierrette Battioni; Daniel Mansuy
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1997
• Journal volume: 119
• Pages of publication: 6442 - 6443
• a: 12.003 ± 0.004 Å
• b: 14.081 ± 0.004 Å
• c: 11.754 ± 0.002 Å
• α: 102.47 ± 0.02°
• β: 103.02 ± 0.02°
• γ: 76.76 ± 0.03°
• Cell volume: 1855.6 ± 0.9 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2
• Residual factor for significantly intense reflections: 0.096
• Weighted residual factors for significantly intense reflections: 0.099
• Goodness-of-fit parameter for significantly intense reflections: 2.525
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: Mo-Kα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No