Information card for entry 4510379

Structure parameters

• Formula: C12 H14 Co N5 O3
• Calculated formula: C12 H14 Co N5 O3
• Title of publication: Distinct Temperature-Dependent CO2Sorption of Two Isomeric Metal‒Organic Frameworks
• Authors of publication: Liu, Bo; Shi, Jingtao; Yue, Ke-Fen; Li, Dong-Sheng; Wang, Yao-Yu
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 4
• Pages of publication: 2003
• a: 15.6644 ± 0.0013 Å
• b: 9.555 ± 0.0008 Å
• c: 10.0249 ± 0.0008 Å
• α: 90°
• β: 100.696 ± 0.002°
• γ: 90°
• Cell volume: 1474.4 ± 0.2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 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: 0.0698
• Residual factor for significantly intense reflections: 0.049
• Weighted residual factors for significantly intense reflections: 0.1428
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No