Information card for entry 4118018

Structure parameters

• Formula: C34 H28 N2 O12 Zn2
• Calculated formula: C22.08 N2 O12 Zn2
• Title of publication: Directing the Breathing Behavior of Pillared-Layered Metal-Organic Frameworks via a Systematic Library of Functionalized Linkers Bearing Flexible Substituents
• Authors of publication: Sebastian Henke; Andreas Schneemann; Annika Wütscher; Roland A. Fischer
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2012
• Journal volume: 134
• Pages of publication: 9464 - 9474
• a: 10.898 ± 0.003 Å
• b: 10.898 ± 0.003 Å
• c: 9.591 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1139.1 ± 0.6 ų
• Cell temperature: 108 ± 2 K
• Ambient diffraction temperature: 108 ± 2 K
• Number of distinct elements: 5
• Space group number: 123
• Hermann-Mauguin space group symbol: P 4/m m m
• Hall space group symbol: -P 4 2
• Residual factor for all reflections: 0.0959
• Residual factor for significantly intense reflections: 0.0779
• Weighted residual factors for significantly intense reflections: 0.1989
• Weighted residual factors for all reflections included in the refinement: 0.2082
• Goodness-of-fit parameter for all reflections included in the refinement: 1.175
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No