Information card for entry 7055583

Structure parameters

• Common name: 5-(4-tert-butylphenyl)-15-bipyridine-porphyrin zinc
• Chemical name: zinc{5-(4-tert-butylphenyl)-15-[4-(2,2'-bipyridine)]-porphyrinato}
• Formula: C44 H38 N6 O Zn
• Calculated formula: C44 H38 N6 O Zn
• Title of publication: Two new bulky substituted Zn porphyrins bearing carboxylate anchoring groups as promising dyes for DSSCs
• Authors of publication: Charisiadis, Asterios; Nikolaou, Vasilis; Karikis, Kostas; Giatagana, Chrysa; Chalepli, Konstantina; Ladomenou, Kalliopi; Biswas, Suhayan; Sharma, Ganesh D.; Coutsolelos, Athanassios G.
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 7
• Pages of publication: 5930
• a: 21.201 ± 0.007 Å
• b: 10.863 ± 0.002 Å
• c: 32.16 ± 0.006 Å
• α: 90°
• β: 98.94 ± 0.04°
• γ: 90°
• Cell volume: 7317 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1568
• Residual factor for significantly intense reflections: 0.068
• Weighted residual factors for significantly intense reflections: 0.0981
• Weighted residual factors for all reflections included in the refinement: 0.1178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No