Information card for entry 2230363

Structure parameters

• Chemical name: Chloridotetrapyridinecopper(II) dicyanamidate pyridine disolvate
• Formula: C32 H30 Cl Cu N9
• Calculated formula: C32 H30 Cl Cu N9
• SMILES: c1cccc[n]1[Cu]([n]1ccccc1)([n]1ccccc1)(Cl)[n]1ccccc1.c1ccccn1.C(#N)[N-]C#N.c1ccccn1
• Title of publication: Chloridotetrapyridinecopper(II) dicyanamidate pyridine disolvate
• Authors of publication: Wöhlert, Susanne; Wriedt, Mario; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 6
• Pages of publication: m695
• a: 15.2859 ± 0.0006 Å
• b: 17.6577 ± 0.0009 Å
• c: 11.4818 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3099.1 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 5
• Space group number: 45
• Hermann-Mauguin space group symbol: I b a 2
• Hall space group symbol: I 2 -2c
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.0927
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes