Information card for entry 4333718

Structure parameters

• Common name: CuClOTPP
• Chemical name: Chloro-(5,10,15,20-tetraphenyl-21-oxaporphyrinato)copper(II)
• Formula: C45 H29 Cl4 Cu N3 O
• Calculated formula: C45 H29 Cl4 Cu N3 O
• Title of publication: Molecular Structure, UV/Vis Spectra, and Cyclic Voltammograms of Mn(II), Co(II), and Zn(II) 5,10,15,20-Tetraphenyl-21-oxaporphyrins
• Authors of publication: Silvio Stute; Linda Götzke; Dirk Meyer; Mohamed L. Merroun; Peter Rapta; Olga Kataeva; Wilhelm Seichter; Kerstin Gloe; Lothar Dunsch; Karsten Gloe
• Journal of publication: Inorganic Chemistry
• Year of publication: 2013
• Journal volume: 52
• Pages of publication: 1515 - 1524
• a: 12.0352 ± 0.0003 Å
• b: 21.9674 ± 0.0006 Å
• c: 14.4403 ± 0.0004 Å
• α: 90°
• β: 102.788 ± 0.001°
• γ: 90°
• Cell volume: 3723.06 ± 0.17 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• 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: 0.0971
• Residual factor for significantly intense reflections: 0.0571
• Weighted residual factors for significantly intense reflections: 0.1355
• Weighted residual factors for all reflections included in the refinement: 0.1452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.005
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No