Information card for entry 4123337

Structure parameters

• Formula: C42 H18 N9 Ni3 O13
• Calculated formula: C42 H18 N9 Ni3 O13
• Title of publication: Pore space partition by symmetry-matching regulated ligand insertion and dramatic tuning on carbon dioxide uptake.
• Authors of publication: Zhao, Xiang; Bu, Xianhui; Zhai, Quan-Guo; Tran, Huy; Feng, Pingyun
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2015
• Journal volume: 137
• Journal issue: 4
• Pages of publication: 1396 - 1399
• a: 16.7446 ± 0.0006 Å
• b: 16.7446 ± 0.0006 Å
• c: 15.1964 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3690 ± 0.3 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• 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: 0.0718
• Residual factor for significantly intense reflections: 0.0548
• Weighted residual factors for significantly intense reflections: 0.1554
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No