Information card for entry 7011680

Structure parameters

• Formula: C53 H40 N6 O5 Zn
• Calculated formula: C53 H40 N6 O5 Zn
• Title of publication: Chloro(N-p-nitrobenzoylimido-meso-tetraphenylporphyrinato)iron(iii): a high-spin complex
• Authors of publication: Chen, Ching-Huei; Lee, Yu-Yi; Liau, Bing-Chuang; Elango, Shanmugham; Chen, Jyh-Horung; Hsieh, Hsi-Ying; Liao, Feng-Ling; Wang, Sue-Lein; Hwang, Lian-Pin
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 15
• Pages of publication: 3001 - 3006
• a: 14.865 ± 0.003 Å
• b: 18.088 ± 0.003 Å
• c: 16.773 ± 0.003 Å
• α: 90°
• β: 97.2 ± 0.004°
• γ: 90°
• Cell volume: 4474.3 ± 1.4 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0709
• Weighted residual factors for significantly intense reflections: 0.2223
• Weighted residual factors for all reflections included in the refinement: 0.2432
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No