Information card for entry 7051909

Structure parameters

• Common name: (Gd(OH2)4)2([C2mim]Cl)
• Formula: C12 H30 Cl5 Gd N4 O4
• Calculated formula: C12 H30 Cl5 Gd N4 O4
• SMILES: [Gd](Cl)(Cl)(Cl)([OH2])([OH2])([OH2])[OH2].[Cl-].[Cl-].n1(c[n+](cc1)C)CC.n1(c[n+](cc1)C)CC
• Title of publication: Flexible coordination environments of lanthanide complexes grown from chloride-based ionic liquids
• Authors of publication: Hines, C. Corey; Cordes, David B.; Griffin, Scott T.; Watts, Savannah I.; Cocalia, Violina A.; Rogers, Robin D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 872
• a: 8.5556 ± 0.0005 Å
• b: 8.7213 ± 0.0005 Å
• c: 18.6748 ± 0.0011 Å
• α: 76.743 ± 0.001°
• β: 87.775 ± 0.001°
• γ: 61.121 ± 0.001°
• Cell volume: 1183.4 ± 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: 0.0333
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0701
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No