Information card for entry 2200860

Structure parameters

• Common name: (2-aminopyrimidine)copper(II) acetate
• Chemical name: catena-Poly[[tetrakis(μ-acetato-κO:κO')dicopper(II)]-μ-2-aminopyrimidine- κ^2^N:N']
• Formula: C12 H17 Cu2 N3 O8
• Calculated formula: C12 H17 Cu2 N3 O8
• SMILES: [Cu]1234([Cu]([O]=C(O1)C)(OC(=[O]2)C)([O]=C(O3)C)(OC(=[O]4)C)[n]1c(N)[n](ccc1)[Cu]1234[Cu]([O]=C(O3)C)(OC(=[O]2)C)([O]=C(O1)C)OC(=[O]4)C)[n]1c(N)nccc1
• Title of publication: <i>catena</i>-Poly[[tetrakis(μ-acetato-κ<i>O</i>:κ<i>O</i>')dicopper(II)]-μ-2-aminopyrimidine-κ^2^<i>N</i>:<i>N</i>'] at 150K
• Authors of publication: Blake, Alexander J.; Hubberstey, Peter; Sampson, Claire L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: m99 - m101
• a: 15.096 ± 0.008 Å
• b: 13.585 ± 0.008 Å
• c: 8.58 ± 0.004 Å
• α: 90°
• β: 94.13 ± 0.05°
• γ: 90°
• Cell volume: 1755 ± 1.6 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0262
• Residual factor for significantly intense reflections: 0.0237
• Weighted residual factors for significantly intense reflections: 0.061
• Weighted residual factors for all reflections included in the refinement: 0.0639
• Goodness-of-fit parameter for all reflections included in the refinement: 1.152
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes