Information card for entry 7219722

Structure parameters

• Chemical name: [Cu(pap)Cl2]
• Formula: C20 H18 Cl2 Cu N4
• Calculated formula: C20 H18 Cl2 Cu N4
• SMILES: [Cu]12(Cl)(Cl)[n]3ccccc3C[N]1=C1c3ccccc3CN1Cc1cccc[n]21
• Title of publication: Cobalt(II) and copper(II) supramolecular networks with 1-iminoisoindoline asymmetric pincer
• Authors of publication: Zabierowski, Piotr; Matoga, Dariusz; Nitek, Wojciech
• Journal of publication: RSC Adv.
• Year of publication: 2015
• a: 8.221 ± 0.005 Å
• b: 14.202 ± 0.005 Å
• c: 16.421 ± 0.005 Å
• α: 90 ± 0.005°
• β: 97.171 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1902.2 ± 1.5 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: 0.0694
• Residual factor for significantly intense reflections: 0.0531
• Weighted residual factors for significantly intense reflections: 0.1454
• Weighted residual factors for all reflections included in the refinement: 0.1601
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No