Information card for entry 7207566

Structure parameters

• Formula: C18 H13 Co N2 O5
• Calculated formula: C18 H11 Co N2 O5
• Title of publication: Solvent influences structural variation from a 3D 4-fold interpenetrated framework to a 2D layer-type porous coordination polymer: Structure analysis and highly selective gas adsorption properties
• Authors of publication: Liu, Bo; Miao, Hui; Pang, Ling-Yan; Hou, Lei; Wang, Yao-Yu; Shi, Qi-Zhen
• Journal of publication: CrystEngComm
• Year of publication: 2012
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 2954
• a: 13.1622 ± 0.0015 Å
• b: 7.2427 ± 0.0008 Å
• c: 17.7408 ± 0.0019 Å
• α: 90°
• β: 103.584 ± 0.002°
• γ: 90°
• Cell volume: 1643.9 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.0424
• Residual factor for significantly intense reflections: 0.0353
• Weighted residual factors for significantly intense reflections: 0.0901
• Weighted residual factors for all reflections included in the refinement: 0.0942
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No