Information card for entry 2241271

Structure parameters

• Chemical name: [5-Butyl-10-(2,5-dimethoxyphenyl)-2,3,7,8,13,12,17,18-octaethylporphyrinato]nickel(II)
• Formula: C48 H60 N4 Ni O2
• Calculated formula: C48 H60 N4 Ni O2
• Title of publication: Crystal structure of [5-<i>n</i>-butyl-10-(2,5-dimethoxyphenyl)-2,3,7,8,13,12,17,18-octaethylporphyrinato]nickel(II)
• Authors of publication: Flanagan, Keith J.; Mothi, Ebrahim M.; Kötzner, Lisa; Senge, Mathias O.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2015
• Journal volume: 71
• Journal issue: 11
• Pages of publication: 1397 - 1400
• a: 11.9496 ± 0.0006 Å
• b: 13.6692 ± 0.0006 Å
• c: 14.3909 ± 0.0007 Å
• α: 72.018 ± 0.002°
• β: 69.051 ± 0.002°
• γ: 89.558 ± 0.002°
• Cell volume: 2074.03 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0909
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0881
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes