Information card for entry 4344083

Structure parameters

• Formula: C8 H8 O10 P2
• Calculated formula: C8 H8 O10 P2
• SMILES: c1(c(C(=O)O)cc(c(c1)C(=O)O)P(=O)(O)O)P(=O)(O)O
• Title of publication: Uranyl Carboxyphosphonates Derived from Hydrothermal in Situ Ligand Reaction: Syntheses, Structures, and Computational Investigations.
• Authors of publication: Wu, Dai; Bai, Xiaojing; Tian, Hong-Rui; Yang, Weiting; Li, Zewen; Huang, Qing; Du, Shiyu; Sun, Zhong-Ming
• Journal of publication: Inorganic chemistry
• Year of publication: 2015
• Journal volume: 54
• Journal issue: 17
• Pages of publication: 8617 - 8624
• a: 20.743 ± 0.007 Å
• b: 7.692 ± 0.003 Å
• c: 16.96 ± 0.009 Å
• α: 90°
• β: 124.476 ± 0.005°
• γ: 90°
• Cell volume: 2230.8 ± 1.7 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• 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: 0.0564
• Residual factor for significantly intense reflections: 0.0404
• Weighted residual factors for significantly intense reflections: 0.11
• Weighted residual factors for all reflections included in the refinement: 0.1156
• Goodness-of-fit parameter for all reflections included in the refinement: 0.959
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No