Information card for entry 4510374

Structure parameters

• Formula: C9 H10 Mn N O5 P
• Calculated formula: C9 H10 Mn N O5 P
• Title of publication: Synthesis, Crystal Structures, and Surface Photovoltage and Molecular Recognition Properties of Three Novel Metal Carboxyphosphonates with a 3D Pillared-Layered Structure
• Authors of publication: Shi, Shao-Ping; Zhu, Yan-Yu; Sun, Zhen-Gang; Zhou, Wei; Dai, Lu-Lu; Ma, Ming-Xue; Li, Wen-Zhu; Luo, Hui; Sun, Tong
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 1580
• a: 11.8907 ± 0.0007 Å
• b: 10.7607 ± 0.0007 Å
• c: 8.4193 ± 0.0005 Å
• α: 90°
• β: 101.46 ± 0.001°
• γ: 90°
• Cell volume: 1055.79 ± 0.11 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0368
• Residual factor for significantly intense reflections: 0.0283
• Weighted residual factors for significantly intense reflections: 0.0726
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No