Information card for entry 7121141

Structure parameters

• Formula: C2.5 H4.25 Mn0.5 N0.5 O2.75 P0.5
• Calculated formula: C2.5 H3.248 Mn0.5 N0.5 O2.5 P0.5
• Title of publication: A highly stable MnII phosphonate as highly efficient catalyst for CO2 fixation under ambient conditions
• Authors of publication: Yang, Yang; Gao, Chaoying; Tian, Hong-Rui; Ai, Jing; Min, Xue; Sun, Zhong-Ming
• Journal of publication: Chemical Communications
• Year of publication: 2018
• a: 28.9848 ± 0.0019 Å
• b: 28.9848 ± 0.0019 Å
• c: 5.5266 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4021 ± 0.6 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273.15 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0668
• Residual factor for significantly intense reflections: 0.0574
• Weighted residual factors for significantly intense reflections: 0.1628
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No