Information card for entry 7106312

Structure parameters

• Formula: C15 H14 Co N6 O2
• Calculated formula: C15 H9 Co N6 O2
• Title of publication: Porous cobalt(II)-imidazolate supramolecular isomeric frameworks with selective gas sorption property
• Authors of publication: Shui-Sheng Chen; Min Chen; Satoshi Takamizawa; Peng Wang; Gao-Chao Lv; Wei-Yin Sun
• Journal of publication: Chem.Commun.
• Year of publication: 2011
• Journal volume: 47
• Pages of publication: 4902
• a: 23.3452 ± 0.001 Å
• b: 23.3452 ± 0.001 Å
• c: 14.9359 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8140 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 88
• Hermann-Mauguin space group symbol: I 41/a :2
• Hall space group symbol: -I 4ad
• Residual factor for all reflections: 0.0707
• Residual factor for significantly intense reflections: 0.0568
• Weighted residual factors for significantly intense reflections: 0.1614
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.113
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No