Information card for entry 4114904

Structure parameters

• Common name: Ga-NO2-corrole
• Formula: C48 H18 F15 Ga N6 O2
• Calculated formula: C48 H18 F15 Ga N6 O2
• Title of publication: Selective Substitution of Corroles: Nitration, Hydroformylation, and Chlorosulfonation
• Authors of publication: Irena Saltsman; Atif Mahammed; Israel Goldberg; Elena Tkachenko; Mark Botoshansky; Zeev Gross
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 7411 - 7420
• a: 12.041 ± 0.0002 Å
• b: 18.204 ± 0.0003 Å
• c: 18.59 ± 0.0003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4074.82 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0637
• Residual factor for significantly intense reflections: 0.0459
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1127
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No