Information card for entry 4114228

Structure parameters

• Formula: C73.5 H44 Ce Cl3 N16 O
• Calculated formula: C73.5 H41 Ce Cl3 N16 O
• 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: 12.889 ± 0.003 Å
• b: 13.984 ± 0.003 Å
• c: 18.305 ± 0.004 Å
• α: 95.64 ± 0.03°
• β: 105.44 ± 0.03°
• γ: 98.36 ± 0.03°
• Cell volume: 3113.8 ± 1.4 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294 ± 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: 0.0607
• Residual factor for significantly intense reflections: 0.0577
• Weighted residual factors for all reflections: 0.1789
• Weighted residual factors for significantly intense reflections: 0.1724
• Goodness-of-fit parameter for all reflections: 1.214
• Goodness-of-fit parameter for significantly intense reflections: 1.199
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No