Information card for entry 4511990

Structure parameters

• Formula: C44 H34 N8 Ni O5
• Calculated formula: C44 H34 N8 Ni O5
• Title of publication: Pillared Metal‒Organic Frameworks Based on 63Layers: Structure Modulation and Sorption Properties
• Authors of publication: Chen, Qiang; Jia, Yan-Yuan; Chang, Ze; Wang, Ting-Ting; Zhou, Bo-Yu; Feng, Rui; Bu, Xian-He
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5189
• a: 9.0061 ± 0.0014 Å
• b: 31.498 ± 0.005 Å
• c: 15.78 ± 0.002 Å
• α: 90°
• β: 90.584 ± 0.004°
• γ: 90°
• Cell volume: 4476.1 ± 1.1 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.075
• Residual factor for significantly intense reflections: 0.0651
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.1792
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No