Information card for entry 7006763

Structure parameters

• Common name: 1-(2-NH2-4-pyrimidyl)-2-(3-methoxy-5-pyridyl)ethyne (AcO)4Cu2 (EtO).6 (CH3CN).8
• Chemical name: 1-(2-NH2-4-pyrimidyl)-2-(3-methoxy-5-pyridyl)ethyne (AcO)4Cu2 (EtO).6 (CH3CN).8
• Formula: C36.8 H41.4 Cu2 N8.8 O10.6
• Calculated formula: C36.8 H41.4 Cu2 N8.8 O10.6
• 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: 7.6304 ± 0.0013 Å
• b: 11.387 ± 0.0019 Å
• c: 12.341 ± 0.002 Å
• α: 76.216 ± 0.003°
• β: 84.191 ± 0.003°
• γ: 79.459 ± 0.003°
• Cell volume: 1022 ± 0.3 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: 0.0543
• Residual factor for significantly intense reflections: 0.0465
• Weighted residual factors for significantly intense reflections: 0.1284
• Weighted residual factors for all reflections included in the refinement: 0.1339
• 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: Yes
• Has Fobs: No