Information card for entry 7111900

Structure parameters

• Formula: C42 H42 Co4 Gd2 N6 O48
• Calculated formula: C42 H18 Co4 Gd2 N6 O48
• 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: 15.7215 ± 0.0008 Å
• b: 15.7215 ± 0.0008 Å
• c: 14.9689 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3204.1 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 6
• Space group number: 192
• Hermann-Mauguin space group symbol: P 6/m c c
• Hall space group symbol: -P 6 2c
• Residual factor for all reflections: 0.0503
• Residual factor for significantly intense reflections: 0.0265
• Weighted residual factors for significantly intense reflections: 0.0621
• Weighted residual factors for all reflections included in the refinement: 0.0656
• Goodness-of-fit parameter for all reflections included in the refinement: 0.977
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No