Information card for entry 7003586

Structure parameters

• Formula: C23 H11 Cu N9
• Calculated formula: C23 H11 Cu N9
• Title of publication: Synthesis, crystal structures and magnetic properties of tricyanomethanide-containing copper(II) complexes
• Authors of publication: Yuste, C.; Armentano, D.; Marino, N.; Cañadillas-Delgado, L.; Delgado, F. S.; Ruiz-Pérez, C.; Rillema, D. P.; Lloret, F.; Julve, M.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 12
• Pages of publication: 1583 - 1596
• a: 7.4688 ± 0.0004 Å
• b: 13.2245 ± 0.001 Å
• c: 21.046 ± 0.0015 Å
• α: 90°
• β: 93.657 ± 0.002°
• γ: 90°
• Cell volume: 2074.5 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 4
• 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: 0.0353
• Residual factor for significantly intense reflections: 0.0278
• Weighted residual factors for significantly intense reflections: 0.0743
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.066
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No