Information card for entry 4306385

Structure parameters

• Formula: C52 H60 N4 O
• Calculated formula: C52 H60 N4 O
• SMILES: O(CC)CC.N1=C2C3(N(c4c(N3c3ccc(cc3)C(C)(C)C)cccc4)c3ccc(cc3)C(C)(C)C)C=CC=C2N(c2c1cccc2)c1ccc(cc1)C(C)(C)C
• Title of publication: Metalloradical Complexes of Manganese and Chromium Featuring an Oxidatively Rearranged Ligand
• Authors of publication: Remle Çelenligil-Çetin; Patrina Paraskevopoulou; Nikolia Lalioti; Yiannis Sanakis; Richard J. Staples; Nigam P. Rath; Pericles Stavropoulos
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 10998 - 11009
• a: 39.025 ± 0.008 Å
• b: 12.187 ± 0.002 Å
• c: 22.221 ± 0.004 Å
• α: 90°
• β: 122.573 ± 0.004°
• γ: 90°
• Cell volume: 8906 ± 3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 4
• 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: 0.1683
• Residual factor for significantly intense reflections: 0.0799
• Weighted residual factors for significantly intense reflections: 0.199
• Weighted residual factors for all reflections included in the refinement: 0.2538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No