Information card for entry 2214996

Structure parameters

• Chemical name: Poly[propane-1,2-diammonium [μ~2~-hydroxido-di-μ~2~-phosphonato-aluminium(III)] monohydrate]
• Formula: C3 H17 Al N2 O8 P2
• Calculated formula: C3 H17 Al N2 O8 P2
• SMILES: [Al]12(O[PH](=O)[O-])(O[PH](=O)[O-])(O)O[PH](=O)O[Al](O[PH](=O)O2)[OH]1.C(C(C)[NH3+])[NH3+].O.C(C(C)[NH3+])[NH3+].O
• Title of publication: Poly[propane-1,2-diammonium [μ~2~-hydroxido-di-μ~2~-phosphonato-aluminium(III)] monohydrate]
• Authors of publication: Wu-Hua Chen; Yong Xiang; Jian-Zhong Chen; Qing-Xin Zeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2401 - m2401
• a: 11.059 ± 0.002 Å
• b: 6.9782 ± 0.0014 Å
• c: 15.319 ± 0.003 Å
• α: 90°
• β: 100.01 ± 0.03°
• γ: 90°
• Cell volume: 1164.2 ± 0.4 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 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: 0.027
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0791
• Weighted residual factors for all reflections included in the refinement: 0.0799
• Goodness-of-fit parameter for all reflections included in the refinement: 1.009
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes