Information card for entry 7001819

Structure parameters

• Formula: C17 H17 N7 O3
• Calculated formula: C17 H17 N7 O3
• Title of publication: Chelate electronic properties control the redox behaviour and superoxide reactivity of seven-coordinate manganese(II) complexes
• Authors of publication: Liu, Gao-Feng; Dürr, Katharina; Puchta, Ralph; Heinemann, Frank W.; van Eldik, Rudi; Ivanović-Burmazović, Ivana
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 32
• Pages of publication: 6292 - 6295
• a: 11.9352 ± 0.0009 Å
• b: 8.3106 ± 0.0003 Å
• c: 17.982 ± 0.002 Å
• α: 90°
• β: 102.78 ± 0.007°
• γ: 90°
• Cell volume: 1739.4 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0756
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.0949
• Weighted residual factors for all reflections included in the refinement: 0.1051
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No