Information card for entry 4115986

Structure parameters

• Chemical name: tris(3,6-bis(pyridin-4-yl)-1,2,4,5-tetrazine)dicadmium(II) nitrate diethylether adduct (1/1)
• Formula: C20 H17 Cd N11 O6.5
• Calculated formula: C20 H12 Cd N11 O6.5
• Title of publication: Assembly of a Three-Dimensional Polyknotted Coordination Polymer
• Authors of publication: Matthew A. Withersby; Alexander J. Blake; Neil R. Champness; Paul A. Cooke; Peter Hubberstey; Martin Schröder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2000
• Journal volume: 122
• Pages of publication: 4044 - 4046
• a: 27.314 ± 0.006 Å
• b: 15.701 ± 0.004 Å
• c: 15.514 ± 0.005 Å
• α: 90°
• β: 116.7 ± 0.02°
• γ: 90°
• Cell volume: 5944 ± 3 ų
• Cell temperature: 220 ± 2 K
• Ambient diffraction temperature: 220 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0984
• Residual factor for significantly intense reflections: 0.0854
• Weighted residual factors for all reflections: 0.1078
• Weighted residual factors for significantly intense reflections: 0.0925
• Goodness-of-fit parameter for all reflections: 1.0844
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No