Information card for entry 4511991

Structure parameters

• Formula: C50 H39 Co N7 O6
• Calculated formula: C50 H39 Co N7 O6
• 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: 14.614 ± 0.003 Å
• b: 32.604 ± 0.007 Å
• c: 9.103 ± 0.0018 Å
• α: 90°
• β: 104.61 ± 0.03°
• γ: 90°
• Cell volume: 4197.1 ± 1.6 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.083
• Residual factor for significantly intense reflections: 0.0604
• Weighted residual factors for significantly intense reflections: 0.1464
• Weighted residual factors for all reflections included in the refinement: 0.1627
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No