Information card for entry 4329553

Structure parameters

• Common name: 3,12-(NO2)2TTCorrCoPPh3
• Formula: C117 H86 Cl2 Co2 N12 O8 P2
• Calculated formula: C117 H86 Cl2 Co2 N12 O8 P2
• 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: 18.225 ± 0.003 Å
• b: 9.2487 ± 0.0014 Å
• c: 29.294 ± 0.004 Å
• α: 90°
• β: 105.212 ± 0.01°
• γ: 90°
• Cell volume: 4764.7 ± 1.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 7
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0754
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1562
• Weighted residual factors for all reflections included in the refinement: 0.1687
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No