Information card for entry 4113781

Structure parameters

• Common name: Bipy*Cd(NO3)2*i-PrOH
• Chemical name: 1-(4-Pyridyl)-4(2-pyridylethynyl)benzene cadmium(II) bisnitrate complex isopropanol solvate
• Formula: C20.8 H19.6 Cd N4 O7
• Calculated formula: C20.8 H18.4 Cd N4 O7
• 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: 13.277 ± 0.0008 Å
• b: 13.2606 ± 0.0008 Å
• c: 14.324 ± 0.0008 Å
• α: 90°
• β: 114.657 ± 0.001°
• γ: 90°
• Cell volume: 2292 ± 0.2 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0562
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0966
• Weighted residual factors for all reflections included in the refinement: 0.1047
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No