Information card for entry 7102787

Structure parameters

• Common name: Form II
• Formula: C12 H30 Cl5 Er N4 O4
• Calculated formula: C12 H30 Cl5 Er N4 O4
• SMILES: [Er](Cl)(Cl)(Cl)([OH2])([OH2])([OH2])[OH2].[Cl-].n1(c[n+](cc1)C)CC.n1(c[n+](cc1)C)CC.[Cl-]
• Title of publication: Using ionic liquids to trap unique coordination environments: polymorphic solvates of ErCl~3~(OH~2~)~4~·2([C~2~mim]Cl)
• Authors of publication: Hines, C. Corey; Cocalia, Violina A.; Rogers, Robin D.
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2008
• Journal issue: 2
• Pages of publication: 226 - 228
• a: 8.5226 ± 0.0005 Å
• b: 8.6848 ± 0.0005 Å
• c: 18.5977 ± 0.0011 Å
• α: 76.775 ± 0.001°
• β: 87.976 ± 0.001°
• γ: 61.221 ± 0.001°
• Cell volume: 1170 ± 0.12 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0265
• Residual factor for significantly intense reflections: 0.0253
• Weighted residual factors for significantly intense reflections: 0.0654
• Weighted residual factors for all reflections included in the refinement: 0.0661
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No