Information card for entry 2242886

Structure parameters

• Chemical name: Di-μ-hydroxido-bis[triaqua(nitrato-κ^2^<i>O</i>,<i>O</i>')scandium(III)] dichloride
• Formula: Cl2 H14 N2 O14 Sc2
• Calculated formula: Cl2 H14 N2 O14 Sc2
• SMILES: [Sc]12([OH2])([OH2])([OH2])([O]=N(=O)O1)[OH][Sc]1([OH2])([OH]2)([OH2])([OH2])[O]=N(=O)O1.[Cl-].[Cl-]
• Title of publication: Crystal structure of hydroxy scandium nitrate chloride
• Authors of publication: Sears, Jeremiah; Cramer, Roger; Boyle, Timothy
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2019
• Journal volume: 75
• Journal issue: 5
• Pages of publication: 540 - 542
• a: 6.7221 ± 0.0003 Å
• b: 7.6279 ± 0.0004 Å
• c: 8.5181 ± 0.0004 Å
• α: 100.904 ± 0.002°
• β: 110.125 ± 0.002°
• γ: 102.329 ± 0.002°
• Cell volume: 383.87 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0332
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0559
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes