Information card for entry 4117203

Structure parameters

• Common name: Ni(II) DPP
• Chemical name: Ni(II) 2,3,5,7,8,10,12,13,15,17,18,20-dodecaphenylporphyrin
• Formula: C127.9 H130.9 Cl2.6 N4 Ni
• Calculated formula: C129.813 H60 Cl2.52 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: 40.95 ± 0.005 Å
• b: 40.95 ± 0.005 Å
• c: 40.95 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 68669 ± 15 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• Space group number: 219
• Hermann-Mauguin space group symbol: F -4 3 c
• Hall space group symbol: F -4a 2 3
• Residual factor for all reflections: 0.1102
• Residual factor for significantly intense reflections: 0.0891
• Weighted residual factors for all reflections: 0.2883
• Weighted residual factors for significantly intense reflections: 0.225
• Goodness-of-fit parameter for all reflections: 1.026
• Goodness-of-fit parameter for significantly intense reflections: 1.041
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No