Information card for entry 4113782

Structure parameters

• Common name: Bipyph*Cd(NO3)2
• Chemical name: 1-(2-Pyridyl)-4-(4-pyridylethynyl)benzene cadmium(II) bisnitrate complex
• Formula: C18 H12 Cd N4 O6
• Calculated formula: C18 H12 Cd N4 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: 8.5354 ± 0.0008 Å
• b: 15.0114 ± 0.0014 Å
• c: 14.7187 ± 0.0013 Å
• α: 90°
• β: 99.674 ± 0.002°
• γ: 90°
• Cell volume: 1859.1 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0596
• Residual factor for significantly intense reflections: 0.0297
• Weighted residual factors for significantly intense reflections: 0.0455
• Weighted residual factors for all reflections included in the refinement: 0.0508
• Goodness-of-fit parameter for all reflections included in the refinement: 0.856
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No