Information card for entry 7003585

Structure parameters

• Formula: C32 H12 Cu2 N20
• Calculated formula: C32 H12 Cu2 N20
• SMILES: [Cu]12([n]3ccncc3c3[n]1ccnc3)(N=C=C(C#N)C#N)N=C=C(C#N)C#[N][Cu]1([n]3ccncc3c3[n]1ccnc3)(N=C=C(C#[N]2)C#N)N=C=C(C#N)C#N
• 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: 9.998 ± 0.003 Å
• b: 12.583 ± 0.002 Å
• c: 14.391 ± 0.003 Å
• α: 97.37 ± 0.01°
• β: 106.1 ± 0.02°
• γ: 93.2 ± 0.02°
• Cell volume: 1717.1 ± 0.7 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0647
• Residual factor for significantly intense reflections: 0.0522
• Weighted residual factors for significantly intense reflections: 0.1366
• Weighted residual factors for all reflections included in the refinement: 0.147
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No