Information card for entry 2235505

Structure parameters

• Chemical name: <i>catena</i>-Poly[1,2,2-trimethylcyclopentane-1,3-diammonium [aluminate(III)-μ-(hydrogen phosphato)-μ-phosphato]]
• Formula: C8 H21 Al N2 O8 P2
• Calculated formula: C8 H21 Al N2 O8 P2
• SMILES: [Al]1OP(=O)(O)O[Al](OP(=O)(O1)O)(OP(=O)([O-])O1)OP(=O)([O-])O[Al]12OP(=O)(O)O[Al](OP(=O)(O2)O)(OP(=O)([O-])[O-])OP(=O)([O-])[O-].CC1([C@@H](CC[C@]1(C)[NH3+])[NH3+])C.CC1([C@H](CC[C@@]1(C)[NH3+])[NH3+])C.CC1([C@@H](CC[C@]1(C)[NH3+])[NH3+])C.CC1([C@H](CC[C@@]1(C)[NH3+])[NH3+])C
• Title of publication: <i>catena</i>-Poly[1,2,2-trimethylcyclopentane-1,3-diammonium [aluminate(III)-μ-(hydrogen phosphato)-μ-phosphato]]
• Authors of publication: Liang, Li-Li
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m986
• a: 8.0102 ± 0.001 Å
• b: 16.862 ± 0.002 Å
• c: 10.5164 ± 0.0012 Å
• α: 90°
• β: 93.203 ± 0.002°
• γ: 90°
• Cell volume: 1418.2 ± 0.3 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0588
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0927
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.019
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes