Information card for entry 4113783

Structure parameters

• Common name: 2{Cd(NO3)2*2Pyyne*H2O}
• Chemical name: bis{1-(4-ethynylpyridine)-4-(2-pyridyl)phenylene}cadmium(II) bisnitrate monohydrate
• Formula: C36 H26 Cd N6 O7
• Calculated formula: C36 H26 Cd N6 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: 38.754 ± 0.008 Å
• b: 10.189 ± 0.002 Å
• c: 8.479 ± 0.0017 Å
• α: 90°
• β: 102.13 ± 0.03°
• γ: 90°
• Cell volume: 3273.3 ± 1.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0525
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.1073
• Weighted residual factors for all reflections included in the refinement: 0.1104
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.6892 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No