Information card for entry 1517122

Structure parameters

• Formula: C48 H38 Mn5 N18 O18 P6
• Calculated formula: C48 H38 Mn5 N18 O18 P6
• Title of publication: Syntheses, structures and magnetic properties of two isostructural metal-phosphonate frameworks
• Authors of publication: Fupeng Zhai; Mingli Deng; Yun Ling; Zhenxia Chen; Linhong Weng; Yaming Zhou
• Journal of publication: Inorganica Chimica Acta
• Year of publication: 2013
• Journal volume: 402
• Pages of publication: 104 - 108
• a: 9.565 ± 0.004 Å
• b: 26.466 ± 0.01 Å
• c: 11.532 ± 0.004 Å
• α: 90°
• β: 93.474 ± 0.004°
• γ: 90°
• Cell volume: 2913.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.0373
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0815
• Weighted residual factors for all reflections included in the refinement: 0.0836
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No