Information card for entry 7108058

Structure parameters

• Common name: ZnTPPBr
• Formula: C38 H31 Br N4 Zn
• Calculated formula: C38 H31 Br N4 Zn
• Title of publication: A simple acrylic acid functionalized zinc porphyrin for cost-effective dye-sensitized solar cells
• Authors of publication: Hongshan He; Ashim Gurung; Liping Si; Andrew Sykes
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 7619
• a: 7.1655 ± 0.0006 Å
• b: 12.8935 ± 0.001 Å
• c: 16.603 ± 0.0013 Å
• α: 84.056 ± 0.001°
• β: 79.663 ± 0.001°
• γ: 82.575 ± 0.001°
• Cell volume: 1491.3 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0702
• Weighted residual factors for all reflections included in the refinement: 0.0759
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No