Information card for entry 7006764

Structure parameters

• Common name: 1-(2-NH2-5-pyridyl)-2-(3-pyridyl)-ethyne, (2FPhCOO)4Cu2
• Chemical name: 1-(2-NH2-5-pyridyl)-2-(3-pyridyl)-ethyne, (2FPhCOO)4Cu2
• Formula: C40 H25 Cu2 F4 N3 O8
• Calculated formula: C40 H25 Cu2 F4 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: 9.3471 ± 0.0009 Å
• b: 15.585 ± 0.0015 Å
• c: 12.9025 ± 0.0011 Å
• α: 90°
• β: 104.714 ± 0.007°
• γ: 90°
• Cell volume: 1817.9 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.1077
• Residual factor for significantly intense reflections: 0.0598
• Weighted residual factors for significantly intense reflections: 0.1275
• Weighted residual factors for all reflections included in the refinement: 0.1457
• Goodness-of-fit parameter for all reflections included in the refinement: 0.894
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No