Information card for entry 4113779

Structure parameters

• Common name: Cd(NO3)2*Pyyne
• Chemical name: 1(4-Pyridyl)-4(2-pyridylethynyl)benzene Cadmium bisnitrate complex acetonitrile solvate
• Formula: C20 H15 Cd N5 O6
• Calculated formula: C20 H15 Cd N5 O6
• Title of publication: Stereoselective Association of Binuclear Metallacycles in Coordination Polymers
• Authors of publication: Andrei N. Khlobystov; Matthew T. Brett; Alexander J. Blake; Neil R. Champness; Peter M. W. Gill; Darragh P. O'Neill; Simon J. Teat; Claire Wilson; Martin Schröder
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6753 - 6761
• a: 26.583 ± 0.005 Å
• b: 8.143 ± 0.0016 Å
• c: 21.27 ± 0.004 Å
• α: 90°
• β: 117.11 ± 0.03°
• γ: 90°
• Cell volume: 4098.4 ± 1.7 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.043
• Residual factor for significantly intense reflections: 0.0317
• Weighted residual factors for significantly intense reflections: 0.0868
• Weighted residual factors for all reflections included in the refinement: 0.0928
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No