Information card for entry 7113465

Structure parameters

• Formula: C60 H50 N5 Ni O2.5
• Calculated formula: C60 H36 N5 Ni O2.5
• Title of publication: Benzoylbiliverdins from chemical oxidation of dodeca-substituted porphyrins
• Authors of publication: Ongayi, Owendi; Fronczek, Frank R.; Vicente, M. Graça H.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 18
• Pages of publication: 2298 - 2299
• a: 16.369 ± 0.007 Å
• b: 23.96 ± 0.009 Å
• c: 13.461 ± 0.005 Å
• α: 90°
• β: 101.39 ± 0.02°
• γ: 90°
• Cell volume: 5175 ± 4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.172
• Residual factor for significantly intense reflections: 0.112
• Weighted residual factors for significantly intense reflections: 0.297
• Weighted residual factors for all reflections included in the refinement: 0.341
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 7104787
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No