Information card for entry 7027060

Structure parameters

• Chemical name: (2,3,12,13-Tetraethyl-7-formyl-5,10,15,20- tetraphenylporphyrinato)nickel(II)
• Formula: C53.75 H45.25 Cl2.25 N4 Ni O1.25
• Calculated formula: C53.75 H44.75 Cl2.25 N4 Ni O1.25
• Title of publication: Non-planar porphyrins with mixed substituent pattern: bromination and formylation of ethyl-substituted tetraphenylporphyrins and tetraalkylporphyrins
• Authors of publication: Senge, Mathias O.; Gerstung, Vanessa; Ruhlandt-Senge, Karin; Runge, Steffen; Lehmann, Ingo
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 1998
• Journal issue: 24
• Pages of publication: 4187
• a: 12.579 ± 0.003 Å
• b: 13.882 ± 0.003 Å
• c: 14.383 ± 0.003 Å
• α: 86.401 ± 0.017°
• β: 73.099 ± 0.016°
• γ: 69.047 ± 0.017°
• Cell volume: 2241.8 ± 0.9 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 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: 0.164
• Residual factor for significantly intense reflections: 0.1105
• Weighted residual factors for significantly intense reflections: 0.2818
• Weighted residual factors for all reflections included in the refinement: 0.328
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No