Information card for entry 1547692

Structure parameters

• Formula: C25 H24 O12 P4
• Calculated formula: C25 H24 O12 P4
• SMILES: P(=O)(O)(O)c1ccc(C(c2ccc(P(=O)(O)O)cc2)(c2ccc(P(=O)(O)O)cc2)c2ccc(P(=O)(O)O)cc2)cc1
• Title of publication: Overcoming the crystallization and designability issues in the ultrastable zirconium phosphonate framework system
• Authors of publication: Tao Zheng; Zaixing Yang; Daxiang Gui; Zhiyong Liu; Xiangxiang Wang; Xing Dai; Shengtang Liu; Linjuan Zhang; Yang Gao; Lanhua Chen; Daopeng Sheng; Yanlong Wang; Juan Diwu; Jianqiang Wang; Ruhong Zhou; Zhifang Chai; Thomas E. Albrecht-Schmitt; Shuao Wanga
• Journal of publication: Nature Communications
• Year of publication: 2017
• Journal volume: 8
• Pages of publication: 15369
• a: 13.2646 ± 0.0007 Å
• b: 13.2646 ± 0.0007 Å
• c: 7.5238 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1323.81 ± 0.13 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• Space group number: 82
• Hermann-Mauguin space group symbol: I -4
• Hall space group symbol: I -4
• Residual factor for all reflections: 0.0516
• Residual factor for significantly intense reflections: 0.0432
• Weighted residual factors for significantly intense reflections: 0.1028
• Weighted residual factors for all reflections included in the refinement: 0.1218
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No