Information card for entry 2218111

Structure parameters

• Chemical name: Hydroxonium triaquabis(biuret-κ^2^<i>O</i>,<i>O</i>')dichloridolanthanum(III) dichloride dihydrate
• Formula: C4 H23 Cl4 La N6 O10
• Calculated formula: C4 H23 Cl4 La N6 O10
• SMILES: C1(N)NC(N)=[O][La]2([O]=1)([OH2])([OH2])([OH2])([O]=C(N)NC(N)=[O]2)(Cl)Cl.[OH3+].O.[Cl-].O.[Cl-]
• Title of publication: Hydroxonium triaquabis(biuret-κ^2^<i>O</i>,<i>O</i>')dichloridolanthanum(III) dichloride dihydrate
• Authors of publication: Harrison, William T. A.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 5
• Pages of publication: m681 - m682
• a: 17.6252 ± 0.0007 Å
• b: 6.8868 ± 0.0003 Å
• c: 17.0447 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2068.91 ± 0.15 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.0168
• Residual factor for significantly intense reflections: 0.0163
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0416
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes