Information card for entry 4306383

Structure parameters

• Formula: C88 H103 Mn N4 O4 P
• Calculated formula: C88 H103 Mn N4 O4 P
• SMILES: [Mn]123([N](c4ccccc4N1c1ccc(cc1)C(C)(C)C)(c1ccccc1N2c1ccc(cc1)C(C)(C)C)c1ccccc1N3c1ccc(cc1)C(C)(C)C)[O]1CCCC1.[P+](c1ccccc1)(c1ccccc1)(c1ccccc1)c1ccccc1.O1CCCC1.O1CCCC1.O1CCCC1
• 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: 10.7305 ± 0.0012 Å
• b: 24.248 ± 0.003 Å
• c: 29.792 ± 0.003 Å
• α: 90°
• β: 98.768 ± 0.002°
• γ: 90°
• Cell volume: 7661.1 ± 1.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1113
• Residual factor for significantly intense reflections: 0.067
• Weighted residual factors for significantly intense reflections: 0.1582
• Weighted residual factors for all reflections included in the refinement: 0.1849
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No