Information card for entry 4115984

Structure parameters

• Common name: {[Cd2(4-pytz)3(NO3)4(MeOH)0.5]}
• Chemical name: 3,6-bis(pyrid-4-yl)-1,2,4,5-tetrazine Cadmium Nitrate Dichloromethane Toluene Solvate
• Formula: C22.33 H12.78 Cd Cl0.67 N11 O6.5
• Calculated formula: C22.835 H12 Cd Cl0.66 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: 19.46 ± 0.02 Å
• b: 24.2 ± 0.03 Å
• c: 13.81 ± 0.02 Å
• α: 90°
• β: 121.17 ± 0.13°
• γ: 90°
• Cell volume: 5565 ± 14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.1538
• Residual factor for significantly intense reflections: 0.0971
• Weighted residual factors for significantly intense reflections: 0.2333
• Weighted residual factors for all reflections included in the refinement: 0.2977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No