Information card for entry 4120104

Structure parameters

• Formula: C25 H31 Co2 N3 O14
• Calculated formula: C25 H31.014 Co2 N3 O14.007
• Title of publication: Ferroelectric Switchable Behavior through Fast Reversible De/adsorption of Water Spirals in a Chiral 3D Metal-Organic Framework
• Authors of publication: Xi-Yan Dong; Bo Li; Bin-Bin Ma; Shi-Jun Li; Ming-Ming Dong; Yan-Yan Zhu; Shuang-Quan Zang; You Song; Hong-Wei Hou; Thomas. C. W. Mak
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 10214 - 10217
• a: 15.9288 ± 0.0006 Å
• b: 15.9288 ± 0.0006 Å
• c: 21.3663 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 4694.9 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.0512
• Residual factor for significantly intense reflections: 0.0436
• Weighted residual factors for significantly intense reflections: 0.1091
• Weighted residual factors for all reflections included in the refinement: 0.1146
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No