Information card for entry 4516479

Structure parameters

• Chemical name: [tetrakis{mu-(uracil-1-acetato-KO:KO´)}bis(dimethylsulfoxide)dicopper(II)]-dimethylsulfoxide (1/2)
• Formula: C32 H44 Cu2 N8 O20 S4
• Calculated formula: C32 H44 Cu2 N8 O20 S4
• Title of publication: Asymmetric and Symmetric Dicopper(II) Paddle-Wheel Units with Modified Nucleobases
• Authors of publication: Hassanein, Khaled; Castillo, Oscar; Gómez-García, Carlos J.; Zamora, Félix; Amo-Ochoa, Pilar
• Journal of publication: Crystal Growth & Design
• Year of publication: 2015
• Journal volume: 15
• Journal issue: 11
• Pages of publication: 5485
• a: 9.4621 ± 0.0005 Å
• b: 11.1133 ± 0.0004 Å
• c: 12.304 ± 0.0005 Å
• α: 65.178 ± 0.002°
• β: 78.605 ± 0.002°
• γ: 89.604 ± 0.002°
• Cell volume: 1146.94 ± 0.09 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0825
• Residual factor for significantly intense reflections: 0.0557
• Weighted residual factors for significantly intense reflections: 0.1555
• Weighted residual factors for all reflections included in the refinement: 0.1881
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No