Information card for entry 4303512

Structure parameters

• Formula: C41 H33 Cl3 N4 O2
• Calculated formula: C41 H33 Cl3 N4 O2
• Title of publication: 6-Azahemiporphycene: A New Member of the Porphyrinoid Family
• Authors of publication: Federica Mandoj; Sara Nardis; Giuseppe Pomarico; Manuela Stefanelli; Luca Schiaffino; Gianfranco Ercolani; Luca Prodi; Damiano Genovese; Nelsi Zaccheroni; Frank R. Fronczek; Kevin M. Smith; Xiao Xiao; Jing Shen; Karl M. Kadish; Roberto Paolesse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 10346 - 10357
• a: 28.711 ± 0.002 Å
• b: 13.3259 ± 0.001 Å
• c: 18.9309 ± 0.0015 Å
• α: 90°
• β: 90.199 ± 0.005°
• γ: 90°
• Cell volume: 7242.9 ± 0.9 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.045
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.093
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No