Information card for entry 7006760

Structure parameters

• Common name: bis(2-amino-4-(3-pyridyl)-6-methoxypyrimidine) mu-(OAc)4 dicopper(ii)
• Chemical name: bis(2-amino-4-(3-pyridyl)-6-methoxypyrimidine) mu-(OAc)4 dicopper(II)
• Formula: C28 H32 Cu2 N8 O10
• Calculated formula: C28 H32 Cu2 N8 O10
• SMILES: c1(cc(c2c[n](ccc2)[Cu]2345[O]=C(C)O[Cu]3([O]=C(C)O2)([n]2cc(c3cc(nc(n3)N)OC)ccc2)(OC(C)=[O]4)[O]=C(C)O5)nc(N)n1)OC
• Title of publication: Directed supramolecular assembly of Cu(II)-based "paddlewheels" into infinite 1-D chains using structurally bifunctional ligands.
• Authors of publication: Aakeröy, Christer B; Schultheiss, Nate; Desper, John
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 13
• Pages of publication: 1627 - 1635
• a: 8.28 ± 0.0006 Å
• b: 9.3983 ± 0.0006 Å
• c: 11.2233 ± 0.0007 Å
• α: 71.144 ± 0.004°
• β: 81.585 ± 0.004°
• γ: 79.24 ± 0.004°
• Cell volume: 808.49 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0482
• Residual factor for significantly intense reflections: 0.0376
• Weighted residual factors for significantly intense reflections: 0.0935
• Weighted residual factors for all reflections included in the refinement: 0.0999
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No