Information card for entry 7009404

Structure parameters

• Formula: C3 H16 Al2 N2 O11 P2
• Calculated formula: C3 H14 Al2 N2 O11 P2
• Title of publication: Synthesis and structural characterisation of a new layered aluminophosphate [C3H12N2][Al2P2O8(OH)2]·H2O
• Authors of publication: Yuan, Hong-Ming; Chen, Jie-Sheng; Shi, Zhan; Chen, Wei; Wang, Ying; Zhang, Ping; Yu, Ji-Hong; Xu, Ru-Ren
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 13
• Pages of publication: 1981
• a: 10.001 ± 0.003 Å
• b: 6.712 ± 0.0013 Å
• c: 18.633 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1250.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.0306
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0667
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No