Information card for entry 4516477

Structure parameters

• Chemical name: [tetrakis{mu-(thymine-1-acetato-KO:KO´)}bis(dimethylacetamide)dicopper(II)]-dimethylacetamide (1/1)
• Formula: C40 H55 Cu2 N11 O19
• Calculated formula: C40 H46 Cu2 N11 O19
• 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: 11.199 ± 0.0003 Å
• b: 15.5475 ± 0.0005 Å
• c: 15.6884 ± 0.0005 Å
• α: 80.724 ± 0.002°
• β: 74.622 ± 0.001°
• γ: 71.103 ± 0.002°
• Cell volume: 2483.35 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0626
• Residual factor for significantly intense reflections: 0.0475
• Weighted residual factors for significantly intense reflections: 0.1359
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No