Information card for entry 7006130

Structure parameters

• Formula: C44 H22 Cu2 N20 O
• Calculated formula: C44 H20 Cu2 N20 O
• Title of publication: Ligand effects on the structures and magnetic properties of tricyanomethanide-containing copper(II) complexes.
• Authors of publication: Yuste, Consuelo; Bentama, Abdeslem; Stiriba, Salah-Eddine; Armentano, Donatella; De Munno, Giovanni; Lloret, Francesc; Julve, Miguel
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 44
• Pages of publication: 5190 - 5200
• a: 9.7205 ± 0.0005 Å
• b: 18.3381 ± 0.0012 Å
• c: 24.4679 ± 0.0016 Å
• α: 90°
• β: 96.964 ± 0.003°
• γ: 90°
• Cell volume: 4329.4 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0595
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.1205
• Weighted residual factors for all reflections included in the refinement: 0.1319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.158
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No