Information card for entry 2008625

Structure parameters

• Chemical name: Triquinolinium hexanitratolanthate(III) monohydrate
• Formula: C27 H26 La N9 O19
• Calculated formula: C27 H26 La N9 O19
• SMILES: [La]123456(ON(=[O]1)=O)(ON(=[O]2)=O)(ON(=[O]6)=O)(ON(=[O]3)=O)(ON(=[O]4)=O)ON(=[O]5)=O.[nH+]1c2ccccc2ccc1.[nH+]1cccc2ccccc12.[nH+]1cccc2ccccc12.O
• Title of publication: Triquinolinium hexanitratolanthate(III) monohydrate
• Authors of publication: Yong Cui; Fakun Zheng; Jiutong Chen; Jinshun Huang
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 6
• Pages of publication: IUC9900065
• a: 11.9149 ± 0.0005 Å
• b: 16.8717 ± 0.0006 Å
• c: 18.1365 ± 0.0004 Å
• α: 90°
• β: 106.193 ± 0.006°
• γ: 90°
• Cell volume: 3501.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.036
• Residual factor for significantly intense reflections: 0.029
• Weighted residual factors for all reflections: 0.066
• Weighted residual factors for all reflections included in the refinement: 0.064
• Goodness-of-fit parameter for all reflections: 1.153
• Goodness-of-fit parameter for all reflections included in the refinement: 1.171
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No