Information card for entry 2011755

Structure parameters

• Chemical name: Bis(μ-2-aminopyrimidine-N^1^) tetrakis[μ-(4-nitrophenyl)acetato-O:O'] dicopper(II)
• Formula: C40 H34 Cu2 N10 O16
• Calculated formula: C40 H34 Cu2 N10 O16
• SMILES: [Cu]1234([Cu](OC(Cc5ccc(N(=O)=O)cc5)=[O]1)(OC(Cc1ccc(N(=O)=O)cc1)=[O]2)(OC(Cc1ccc(N(=O)=O)cc1)=[O]3)(OC(Cc1ccc(N(=O)=O)cc1)=[O]4)[n]1c(N)nccc1)[n]1c(N)nccc1
• Title of publication: Tetrakis[μ-(4-nitrophenyl)acetato-<i>O</i>:<i>O</i>']bis[(2-aminopyrimidine-<i>N</i>^1^)copper(II)]
• Authors of publication: Lynch, Daniel E.; Duckhouse, Helen L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2001
• Journal volume: 57
• Journal issue: 2
• Pages of publication: 158 - 159
• a: 17.134 ± 0.005 Å
• b: 18.9575 ± 0.0008 Å
• c: 14.0859 ± 0.0006 Å
• α: 90°
• β: 111.159 ± 0.003°
• γ: 90°
• Cell volume: 4266.9 ± 1.3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1944
• Residual factor for significantly intense reflections: 0.0661
• Weighted residual factors for all reflections included in the refinement: 0.1485
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No