Information card for entry 2014213

Structure parameters

• Chemical name: Bis(2-methylimidazolium) hydroxodiphosphatoaluminium
• Formula: C8 H15 Al N4 O8 P2
• Calculated formula: C8 H15 Al N4 O8 P2
• SMILES: P1(=O)([O-])O[Al]OP(=O)([O-])O[Al](O1)(OP(=O)([O-])O)OP(=O)([O-])O.[nH]1c(C)[nH+]cc1.[nH]1c(C)[nH+]cc1.[nH]1c(C)[nH+]cc1.[nH]1c(C)[nH+]cc1
• Title of publication: Bis(2-methylimidazolium) hydroxodiphosphatoaluminium
• Authors of publication: Junya Takashima; Kazumasa Sugiyama; Tokuhei Tagai; Osamu Terasaki; Jihong Yu
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2004
• Journal volume: 60
• Journal issue: 7
• Pages of publication: m333 - m334
• a: 8.4789 ± 0.0017 Å
• b: 9.5233 ± 0.0011 Å
• c: 10.3607 ± 0.0017 Å
• α: 108.811 ± 0.009°
• β: 92.172 ± 0.013°
• γ: 105.561 ± 0.013°
• Cell volume: 755.8 ± 0.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0844
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1149
• Weighted residual factors for all reflections included in the refinement: 0.1298
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes