Information card for entry 7111902

Structure parameters

• Formula: C21 H22.5 Gd N3 O20.25
• Calculated formula: C21 H9 Gd N3 O18.99
• Title of publication: Water molecule-driven reversible single-crystal to single-crystal transformation of a multi-metallic coordination polymer with controllable metal ion movement
• Authors of publication: Zheng Niu; Jian-Gong Ma; Wei Shi; Peng Cheng
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 1839
• a: 13.941 ± 0.0009 Å
• b: 13.941 ± 0.0009 Å
• c: 21.8405 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3676 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 144
• Hermann-Mauguin space group symbol: P 31
• Hall space group symbol: P 31
• Residual factor for all reflections: 0.0805
• Residual factor for significantly intense reflections: 0.0688
• Weighted residual factors for significantly intense reflections: 0.1646
• Weighted residual factors for all reflections included in the refinement: 0.1714
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No