Information card for entry 7215900

Structure parameters

• Formula: C10 H5 Cl2 Co N5 O2
• Calculated formula: C10 H5 Cl2 Co N5 O2
• Title of publication: Enhancement of CO2 uptake in iso-reticular Co based zeolitic imidazolate frameworks via metal replacement
• Authors of publication: Panda, Tamas; Gupta, Krishna M.; Jiang, Jianwen; Banerjee, Rahul
• Journal of publication: CrystEngComm
• Year of publication: 2014
• Journal volume: 16
• Journal issue: 22
• Pages of publication: 4677
• a: 26.113 ± 0.002 Å
• b: 26.113 ± 0.002 Å
• c: 19.6459 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 11601.6 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.1765
• Residual factor for significantly intense reflections: 0.0997
• Weighted residual factors for significantly intense reflections: 0.2862
• Weighted residual factors for all reflections included in the refinement: 0.334
• Goodness-of-fit parameter for all reflections included in the refinement: 0.979
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No