Information card for entry 4506254

Structure parameters

• Formula: C6 H18 N Nd O14 P2
• Calculated formula: C6 H18 N Nd O14 P2
• Title of publication: Novel Lanthanide(III) Oxalatophosphonates with New Topology: Syntheses, Crystal Structures, Reversible Dehydration/Hydration, and Luminescence Properties
• Authors of publication: Zhao, Yan; Jiao, Cheng-Qi; Sun, Zhen-Gang; Zhu, Yan-Yu; Chen, Kai; Wang, Cheng-Lin; Li, Chao; Zheng, Ming-Jing; Tian, Hui; Sun, Shou-Hui; Chu, Wei
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 6
• Pages of publication: 3191
• a: 10.9897 ± 0.0009 Å
• b: 9.1988 ± 0.0008 Å
• c: 15.2172 ± 0.0012 Å
• α: 90°
• β: 93.037 ± 0.001°
• γ: 90°
• Cell volume: 1536.2 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0402
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0859
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No