Information card for entry 4107065

Structure parameters

• Formula: C11 H15 Cl N2 O4 Zn
• Calculated formula: C11 H15 Cl N2 O4 Zn
• Title of publication: Helical Water Chain Mediated Proton Conductivity in Homochiral Metal-Organic Frameworks with Unprecedented Zeolitic unh-Topology
• Authors of publication: Subash Chandra Sahoo; Tanay Kundu; Rahul Banerjee
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 17950 - 17958
• a: 17.691 ± 0.002 Å
• b: 17.691 ± 0.002 Å
• c: 10.5617 ± 0.0012 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2862.7 ± 0.6 ų
• Cell temperature: 195 ± 2 K
• Ambient diffraction temperature: 195 ± 2 K
• Number of distinct elements: 6
• Space group number: 169
• Hermann-Mauguin space group symbol: P 61
• Hall space group symbol: P 61
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0384
• Weighted residual factors for significantly intense reflections: 0.1154
• Weighted residual factors for all reflections included in the refinement: 0.1203
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No