Information card for entry 2211893

Structure parameters

• Chemical name: Diaquabis[2,6-bis(1,2,4-triazol-2-yl)pyridine-κN^4^]trinatratolathanum(III) monohydrate
• Formula: C18 H20 La N17 O12
• Calculated formula: C18 H20 La N17 O12
• SMILES: [La]123([OH2])([OH2])([n]6cnn(c6)c6cccc(n6)n6ncnc6)([n]6cn(nc6)c6cccc(n6)n6ncnc6)(ON(=O)=[O]1)(ON(=O)=[O]2)ON(=[O]3)=O.O
• Title of publication: Diaquabis[2,6-bis(1,2,4-triazol-2-yl)pyridine-κ<i>N</i>^4^]trinitratolathanum(III) monohydrate
• Authors of publication: Kwak, Han; Park, Byeong Kwon; Kim, Cheal; Kim, Sung-Jin; Kim, Youngmee
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 1
• Pages of publication: m269 - m271
• a: 8.9 ± 0.0005 Å
• b: 13.9649 ± 0.0008 Å
• c: 23.6361 ± 0.0013 Å
• α: 90°
• β: 95.111 ± 0.001°
• γ: 90°
• Cell volume: 2926 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0488
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0651
• Weighted residual factors for all reflections included in the refinement: 0.0691
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes