Information card for entry 4329551

Structure parameters

• Formula: C41.47 H32.47 Cl4.4 N5 O2
• Calculated formula: C41.468 H32.468 Cl4.404 N5 O2
• Title of publication: β-Nitro-5,10,15-tritolylcorroles
• Authors of publication: Manuela Stefanelli; Giuseppe Pomarico; Luca Tortora; Sara Nardis; Frank R. Fronczek; Gregory T. McCandless; Kevin M. Smith; Machima Manowong; Yuanyuan Fang; Ping Chen; Karl M. Kadish; Angela Rosa; Giampaolo Ricciardi; Roberto Paolesse
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6928 - 6942
• a: 9.6282 ± 0.001 Å
• b: 14.5927 ± 0.0014 Å
• c: 15.2094 ± 0.0015 Å
• α: 64.348 ± 0.005°
• β: 83.229 ± 0.005°
• γ: 87.496 ± 0.005°
• Cell volume: 1912.8 ± 0.3 ų
• Cell temperature: 90 ± 0.5 K
• Ambient diffraction temperature: 90 ± 0.5 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: 0.061
• Residual factor for significantly intense reflections: 0.059
• Weighted residual factors for significantly intense reflections: 0.154
• Weighted residual factors for all reflections included in the refinement: 0.155
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No