Information card for entry 4341443

Structure parameters

• Formula: C15 H34 F12 Mn N4 O3 P2
• Calculated formula: C15 H34 F12 Mn N4 O3 P2
• Title of publication: Influence of Calcium(II) and Chloride on the Oxidative Reactivity of a Manganese(II) Complex of a Cross-Bridged Cyclen Ligand
• Authors of publication: Zhang, Zhan; Coats, Katherine L.; Chen, Zhuqi; Hubin, Timothy J.; Yin, Guochuan
• Journal of publication: Inorganic Chemistry
• Year of publication: 2014
• Pages of publication: 141106145049000
• a: 13.392 ± 0.003 Å
• b: 10.614 ± 0.002 Å
• c: 19.239 ± 0.004 Å
• α: 90°
• β: 90.29 ± 0.03°
• γ: 90°
• Cell volume: 2734.6 ± 1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• 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: 0.1274
• Residual factor for significantly intense reflections: 0.0782
• Weighted residual factors for significantly intense reflections: 0.1587
• Weighted residual factors for all reflections included in the refinement: 0.1837
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No