Information card for entry 2214112

Structure parameters

• Chemical name: Bis[tris(1-pyrazolyl)methane-κ^3^N,N',N'']copper(II) dichloride methanol disolvate
• Formula: C22 H28 Cl2 Cu N12 O2
• Calculated formula: C22 H28 Cl2 Cu N12 O2
• SMILES: C12n3ccc[n]3[Cu]34([n]5cccn5C(n5ccc[n]35)n3ccc[n]43)([n]3cccn23)[n]2n1ccc2.CO.[Cl-].CO.[Cl-]
• Title of publication: Bis[tris(1-pyrazolyl)methane-κ^3^<i>N</i>,<i>N</i>',<i>N</i>'']copper(II) dichloride methanol disolvate
• Authors of publication: Silva, Telma F. S.; Martins, Luisa M. D. R.; Guedes da Silva, M. Fatima C.; Pombeiro, Armando J. L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1979 - m1979
• a: 8.5069 ± 0.0013 Å
• b: 10.4307 ± 0.0016 Å
• c: 16.101 ± 0.003 Å
• α: 90°
• β: 91.574 ± 0.008°
• γ: 90°
• Cell volume: 1428.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0645
• Residual factor for significantly intense reflections: 0.0403
• Weighted residual factors for significantly intense reflections: 0.0787
• Weighted residual factors for all reflections included in the refinement: 0.0853
• Goodness-of-fit parameter for all reflections included in the refinement: 0.971
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes