Information card for entry 7006759

Structure parameters

• Common name: bis(2-amino-4-(3-pyridyl)-6-methylpyrimidine) mu- (OAc)4dicopper(ii)
• Chemical name: bis(2-amino-4-(3-pyridyl)-6-methylpyrimidine) mu-(OAc)4dicopper(II)
• Formula: C28 H32 Cu2 N8 O8
• Calculated formula: C28 H32 Cu2 N8 O8
• SMILES: c1(nc(cc(c2c[n](ccc2)[Cu]2345[O]=C(C)O[Cu]3([O]=C(C)O2)([n]2cc(c3cc(C)nc(N)n3)ccc2)(OC(C)=[O]4)[O]=C(C)O5)n1)C)N
• 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: 8.0282 ± 0.0005 Å
• b: 10.6399 ± 0.0007 Å
• c: 18.9041 ± 0.0013 Å
• α: 90°
• β: 99.36 ± 0.001°
• γ: 90°
• Cell volume: 1593.27 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0301
• Residual factor for significantly intense reflections: 0.0276
• Weighted residual factors for significantly intense reflections: 0.0751
• Weighted residual factors for all reflections included in the refinement: 0.0767
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No