Information card for entry 4302870

Structure parameters

• Formula: C16 H16 Mn3 N2 O12
• Calculated formula: C16 H16 Mn3 N2 O12
• Title of publication: Single-Crystal-to-Single-Crystal Transformation in Unusual Three-Dimensional Manganese(II) Frameworks Exhibiting Unprecedented Topology and Homospin Ferrimagnet
• Authors of publication: Jiong-Peng Zhao; Bo-Wen Hu; Qian Yang; Tong-Liang Hu; Xian-He Bu
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 7111 - 7116
• a: 17.993 ± 0.004 Å
• b: 10.644 ± 0.002 Å
• c: 11.531 ± 0.002 Å
• α: 90°
• β: 91.23 ± 0.03°
• γ: 90°
• Cell volume: 2207.9 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0974
• Residual factor for significantly intense reflections: 0.0692
• Weighted residual factors for significantly intense reflections: 0.1524
• Weighted residual factors for all reflections included in the refinement: 0.1671
• Goodness-of-fit parameter for all reflections included in the refinement: 1.142
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No