Information card for entry 7055649

Structure parameters

• Formula: C21 H39 Cl6 N6 Y
• Calculated formula: C21 H39 Cl6 N6 Y
• SMILES: c1(C)n(cc[n+]1C)CC.c1(C)n(cc[n+]1C)CC.c1(C)n(cc[n+]1C)CC.Cl[Y](Cl)(Cl)([Cl-])([Cl-])[Cl-]
• Title of publication: Hexahalometallate salts of trivalent scandium, yttrium and lanthanum: cation‒anion association in the solid state and in solution
• Authors of publication: Champion, Martin J. D.; Levason, William; Pugh, David; Reid, Gillian
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 8
• Pages of publication: 7181
• a: 9.917 ± 0.0008 Å
• b: 16.2743 ± 0.0012 Å
• c: 19.0282 ± 0.0016 Å
• α: 90°
• β: 99.973 ± 0.001°
• γ: 90°
• Cell volume: 3024.6 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0393
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.064
• Weighted residual factors for all reflections included in the refinement: 0.0674
• 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: No