Information card for entry 7006765

Structure parameters

• Common name: 1-(2-NH2-5-pyridyl)-2-(3-pyridyl)-ethyne, (CH3COO)4Cu2
• Chemical name: 1-(2-NH2-5-pyridyl)-2-(3-pyridyl)-ethyne, (CH3COO)4Cu2
• Formula: C20 H21 Cu2 N3 O8
• Calculated formula: C20 H21 Cu2 N3 O8
• 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: 8.1368 ± 0.0011 Å
• b: 8.3062 ± 0.0011 Å
• c: 8.749 ± 0.0012 Å
• α: 86.244 ± 0.003°
• β: 80.48 ± 0.003°
• γ: 80.539 ± 0.003°
• Cell volume: 574.79 ± 0.13 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: 0.0655
• Residual factor for significantly intense reflections: 0.0553
• Weighted residual factors for significantly intense reflections: 0.1354
• Weighted residual factors for all reflections included in the refinement: 0.1398
• Goodness-of-fit parameter for all reflections included in the refinement: 0.969
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No