Information card for entry 1100773

Structure parameters

• Formula: C53 H27 Cr F15 N5
• Calculated formula: C53 H27 Cr F15 N5
• SMILES: [Cr]123(n4c5ccc4C(=c4[n]1c(cc4)C(=c1[n]2c(cc1)c1[n]3c(cc1)=C5c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)c1c(F)c(F)c(F)c(F)c1F)=Nc1c(cc(cc1C)C)C.c1ccccc1C
• Title of publication: High-Valent Imido Complexes of Manganese and Chromium Corroles
• Authors of publication: Nicola Y. Edwards; Rebecca A. Eikey; Megan I. Loring; Mahdi M. Abu-Omar
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 3700 - 3708
• a: 14.9131 ± 0.0012 Å
• b: 12.6146 ± 0.001 Å
• c: 24.0113 ± 0.0019 Å
• α: 90°
• β: 99.792 ± 0.002°
• γ: 90°
• Cell volume: 4451.3 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0997
• Residual factor for significantly intense reflections: 0.0437
• Weighted residual factors for significantly intense reflections: 0.091
• Weighted residual factors for all reflections included in the refinement: 0.116
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No