Information card for entry 4113778

Structure parameters

• Common name: 2{L*Cd(NO3)2*DMF}
• Chemical name: 2-Pyridyl-4-pyridylacetylene Cadmium(II) bisnitrate complex dimethylformamide solvate
• Formula: C30 H30 Cd2 N10 O14
• Calculated formula: C30 H30 Cd2 N10 O14
• SMILES: C1#Cc2[n]([Cd]34([O]=N(=O)O3)([O]=CN(C)C)(ON(=O)=[O]4)[n]3ccc(cc3)C#Cc3cccc[n]3[Cd]34([n]5ccc1cc5)([O]=N(=O)O3)([O]=CN(C)C)ON(=O)=[O]4)cccc2
• 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: 8.457 ± 0.0013 Å
• b: 9.581 ± 0.002 Å
• c: 12.026 ± 0.002 Å
• α: 88.117 ± 0.002°
• β: 88.678 ± 0.003°
• γ: 82.132 ± 0.002°
• Cell volume: 964.6 ± 0.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0196
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No