Information card for entry 4113776

Structure parameters

• Common name: 2{2,4-Bipy*(MeCN)Cd(NO3)2}
• Chemical name: Bis[acetonitrile(2,4-Bipyridine)bis(nitrato)]dicadmium(II)
• Formula: C24 H22 Cd2 N10 O12
• Calculated formula: C24 H22 Cd2 N10 O12
• SMILES: [Cd]123(ON(=O)=[O]1)(ON(=O)=[O]3)([n]1ccc(cc1)c1cccc[n]1[Cd]13([n]4ccc(cc4)c4cccc[n]24)([N]#CC)(ON(=O)=[O]1)ON(=O)=[O]3)[N]#CC
• 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: 7.8735 ± 0.0007 Å
• b: 8.1441 ± 0.0007 Å
• c: 12.9572 ± 0.0011 Å
• α: 78.804 ± 0.001°
• β: 78.681 ± 0.001°
• γ: 68.581 ± 0.001°
• Cell volume: 751.56 ± 0.11 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: 0.0302
• Residual factor for significantly intense reflections: 0.0251
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 1.033
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No