Information card for entry 4503991

Structure parameters

• Chemical name: [Bis(pyridine-2,6-dicarboxylato)copper(II)- bis(trans-1,2-bis(4-pyridyl)ethylene)]dicopper(I) heptahydrate
• Formula: C38 H40 Cu3 N6 O15
• Calculated formula: C38 H40 Cu3 N6 O15
• Title of publication: Self-Assembly of a Water Chain with Tetrameric and Decameric Clusters in the Channel of a Mixed-Valence CuICuIIComplex
• Authors of publication: Hu, Ning-Hai; Li, Zhi-Gang; Xu, Jing-Wei; Jia, Heng-Qing; Niu, Jia-Jia
• Journal of publication: Crystal Growth & Design
• Year of publication: 2007
• Journal volume: 7
• Journal issue: 1
• Pages of publication: 15
• a: 13.1822 ± 0.0009 Å
• b: 13.5142 ± 0.0009 Å
• c: 13.6341 ± 0.0009 Å
• α: 65.703 ± 0.001°
• β: 83.157 ± 0.001°
• γ: 69.709 ± 0.001°
• Cell volume: 2075.6 ± 0.2 ų
• Cell temperature: 187 ± 1 K
• Ambient diffraction temperature: 187 ± 1 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: 0.0554
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.0921
• Weighted residual factors for all reflections included in the refinement: 0.0997
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No