Information card for entry 4511918

Structure parameters

• Formula: C28 H44 Cu2 N8 O24
• Calculated formula: C28 H44 Cu2 N8 O24
• SMILES: C1(=O)N(C=CC(=O)N1)CCC1=[O][Cu]234([Cu](O1)([OH2])([O]=C(CCN1C(=O)NC(=O)C=C1)O2)(OC(CCN1C(=O)NC(=O)C=C1)=[O]4)[O]=C(CCN1C(=O)NC(=O)C=C1)O3)[OH2].O.O.O.O.O.O
• Title of publication: Multi-Uracil Arrays Built on Organostannoxane, Organotelluroxane, and Copper(II) Carboxylate Platforms. C–H···O Interactions Leading to Tetrameric Uracil Motifs
• Authors of publication: Kundu, Subrata; Kumar, Jitendra; Kumar, Arun; Verma, Sandeep; Chandrasekhar, Vadapalli
• Journal of publication: Crystal Growth & Design
• Year of publication: 2014
• Journal volume: 14
• Journal issue: 10
• Pages of publication: 5171
• a: 9.583 ± 0.005 Å
• b: 9.934 ± 0.005 Å
• c: 10.942 ± 0.005 Å
• α: 78.546 ± 0.005°
• β: 84.329 ± 0.005°
• γ: 85.907 ± 0.005°
• Cell volume: 1014.5 ± 0.9 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: 0.0358
• Residual factor for significantly intense reflections: 0.0349
• Weighted residual factors for significantly intense reflections: 0.0968
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No