Information card for entry 7033852

Structure parameters

• Formula: C38 H40 Cu N10 O4
• Calculated formula: C38 H40 Cu N10 O4
• Title of publication: Reactivity of TCNE and TCNQ derivatives of quinonoid zwitterions with Cu(i).
• Authors of publication: Kauf, Thomas; Rosa, Vitor; Fliedel, Christophe; Pattacini, Roberto; Deibel, Naina; Avilés, Teresa; Sarkar, Biprajit; Braunstein, Pierre
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 12
• Pages of publication: 5441 - 5450
• a: 11.0282 ± 0.0005 Å
• b: 13.567 ± 0.0007 Å
• c: 14.6751 ± 0.0005 Å
• α: 90°
• β: 108.707 ± 0.002°
• γ: 90°
• Cell volume: 2079.69 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.109
• Residual factor for significantly intense reflections: 0.0753
• Weighted residual factors for significantly intense reflections: 0.2102
• Weighted residual factors for all reflections included in the refinement: 0.2349
• Goodness-of-fit parameter for all reflections included in the refinement: 1.074
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No