Information card for entry 4117202

Structure parameters

• Common name: Ni(II)F~28~DPP
• Chemical name: 5,10,15,20-tetrakis-(pentafluorophenyl)-2,3,7,8,12,13,17,18-octakis-(4- fluorophenyl)-porphinato nickel(II)
• Formula: C122 H102 F28 N4 Ni
• Calculated formula: C127.28 H32 F28 N4 Ni
• Title of publication: Conformational Flexibility in Dodecasubstituted Porphyrins
• Authors of publication: Daniel J. Nurco; Craig J. Medforth; Timothy P. Forsyth; Marilyn M. Olmstead; Kevin M. Smith
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 1996
• Journal volume: 118
• Pages of publication: 10918 - 10919
• a: 24.394 ± 0.002 Å
• b: 24.394 ± 0.002 Å
• c: 8.659 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5152.7 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 137
• Hermann-Mauguin space group symbol: P 42/n m c :2
• Hall space group symbol: -P 4ac 2a
• Residual factor for all reflections: 0.0688
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for all reflections: 0.1562
• Weighted residual factors for significantly intense reflections: 0.1435
• Goodness-of-fit parameter for all reflections: 0.914
• Goodness-of-fit parameter for significantly intense reflections: 0.95
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No