Information card for entry 4324498

Structure parameters

• Formula: C33 H30 Cl2 Cu N4 O9
• Calculated formula: C33 H28 Cl2 Cu N4 O9
• Title of publication: Reactions of Copper(II)-Phenol Systems with O2: Models for TPQ Biosynthesis in Copper Amine Oxidases
• Authors of publication: Kae Tabuchi; Mehmed Z. Ertem; Hideki Sugimoto; Atsushi Kunishita; Tetsuro Tano; Nobutaka Fujieda; Christopher J. Cramer; Shinobu Itoh
• Journal of publication: Inorganic Chemistry
• Year of publication: 2011
• Journal volume: 50
• Pages of publication: 1633 - 1647
• a: 28.313 ± 0.011 Å
• b: 8.669 ± 0.002 Å
• c: 29.689 ± 0.011 Å
• α: 90°
• β: 112.927 ± 0.018°
• γ: 90°
• Cell volume: 6711 ± 4 ų
• Cell temperature: 153.1 K
• Ambient diffraction temperature: 153.1 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.047
• Weighted residual factors for all reflections included in the refinement: 0.1264
• Goodness-of-fit parameter for all reflections included in the refinement: 0.912
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No