Information card for entry 7010879

Structure parameters

• Formula: C31.8 H41.4 Mn N5 O4.4
• Calculated formula: C31.802 H41.404 Mn N5 O4.4
• Title of publication: Tuning the coordination mode in mononuclear manganese complexes by changing the steric bulk of the carboxylates
• Authors of publication: Warzeska, Sabine T.; Miccichè, Fabrizio; Mimmi, M. Chiara; Bouwman, Elisabeth; Kooijman, Huub; Spek, Anthony L.; Reedijk, Jan
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2001
• Journal issue: 23
• Pages of publication: 3507
• a: 21.073 ± 0.003 Å
• b: 8.9637 ± 0.001 Å
• c: 16.5679 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3129.5 ± 0.6 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0729
• Residual factor for significantly intense reflections: 0.0591
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No