Information card for entry 4510380

Structure parameters

• Formula: C9 H7 Co N4 O2
• Calculated formula: C9 H7 Co N4 O2
• 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: 10.018 ± 0.009 Å
• b: 35.527 ± 0.003 Å
• c: 9.37 ± 0.08 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3335 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.169
• Residual factor for significantly intense reflections: 0.0928
• Weighted residual factors for significantly intense reflections: 0.2237
• Weighted residual factors for all reflections included in the refinement: 0.2414
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No