Information card for entry 7010881

Structure parameters

• Formula: C59 H65 Mn N5 O5
• Calculated formula: C59 H65 Mn N5 O5
• 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: 9.7431 ± 0.0012 Å
• b: 15.554 ± 0.002 Å
• c: 17.412 ± 0.003 Å
• α: 78.228 ± 0.014°
• β: 87.74 ± 0.016°
• γ: 84.03 ± 0.02°
• Cell volume: 2568.7 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.1102
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1019
• Weighted residual factors for all reflections included in the refinement: 0.1167
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKa
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No