Information card for entry 4114229

Structure parameters

• Formula: C87 H74 Ce N12
• Calculated formula: C87 H74 Ce N12
• Title of publication: Tuning the Valence of the Cerium Center in (Na)phthalocyaninato and Porphyrinato Cerium Double-Deckers by Changing the Nature of the Tetrapyrrole Ligands
• Authors of publication: Yongzhong Bian; Jianzhuang Jiang; Ye Tao; Michael T. M. Choi; Renjie Li; Anthony C. H. Ng; Peihua Zhu; Na Pan; Xuan Sun; Dennis P. Arnold; Zhong-Yuan Zhou; Hung-Wing Li; Thomas C. W. Mak; Dennis K. P. Ng
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 12257 - 12267
• a: 29.048 ± 0.007 Å
• b: 10.888 ± 0.002 Å
• c: 26.642 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8426 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.1443
• Residual factor for significantly intense reflections: 0.074
• Weighted residual factors for significantly intense reflections: 0.2022
• Weighted residual factors for all reflections included in the refinement: 0.2634
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No