Information card for entry 4306387

Structure parameters

• Formula: C52 H59 Cr N4 O
• Calculated formula: C52 H59 Cr N4 O
• SMILES: [Cr]123([N](c4ccccc4N2c2ccc(cc2)C(C)(C)C)(c2ccccc2N1c1ccc(cc1)C(C)(C)C)c1ccccc1N3c1ccc(cc1)C(C)(C)C)[O]1CCCC1
• 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: 11.691 ± 0.002 Å
• b: 13.995 ± 0.003 Å
• c: 15.37 ± 0.003 Å
• α: 62.987 ± 0.003°
• β: 85.304 ± 0.004°
• γ: 84.835 ± 0.004°
• Cell volume: 2228.9 ± 0.8 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 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: 0.1942
• Residual factor for significantly intense reflections: 0.0736
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1569
• Goodness-of-fit parameter for all reflections included in the refinement: 0.994
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No