Information card for entry 1572519

Structure parameters

• Formula: C12 H9 Co0.75 N2 O2
• Calculated formula: C12 H9 Co0.75 N2 O2
• Title of publication: First Examples of Metal-Organic Frameworks with Pore-Encapsulated [Co(CO)4]− Anions: Facile Synthesis, Crystal Structures and Stability Studies
• Authors of publication: Xiao, Caihong; Du, Shaowu
• Journal of publication: Crystals
• Year of publication: 2024
• Journal volume: 14
• Journal issue: 8
• Pages of publication: 731
• a: 12.2559 ± 0.0006 Å
• b: 12.2559 ± 0.0006 Å
• c: 15.4132 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2315.2 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 114
• Hermann-Mauguin space group symbol: P -4 21 c
• Hall space group symbol: P -4 2n
• Residual factor for significantly intense reflections: 0.0431
• Weighted residual factors for significantly intense reflections: 0.1198
• Weighted residual factors for all reflections included in the refinement: 0.1252
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No