Information card for entry 1561506

Structure parameters

• Formula: C22 H14 Co N12
• Calculated formula: C22 H14 Co N12
• Title of publication: Unique microporous NbO-type CoII/ZnII MOFs from double helical chains: Sorption and luminescent properties
• Authors of publication: Dong, Wen-Wen; Xia, Liang; Peng, Zhen; Zhao, Jun; Wu, Ya-Pan; Zhang, Jian; Li, Dong-Sheng
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 238
• Pages of publication: 170 - 174
• a: 27.72 ± 0.005 Å
• b: 27.72 ± 0.005 Å
• c: 8.84 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5883 ± 2 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0948
• Residual factor for significantly intense reflections: 0.0762
• Weighted residual factors for significantly intense reflections: 0.1563
• Weighted residual factors for all reflections included in the refinement: 0.1677
• Goodness-of-fit parameter for all reflections included in the refinement: 1.201
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No