Information card for entry 7227897

Structure parameters

• Common name: Dichloro-bis(4-cyanopyridine)copper
• Chemical name: Dichloro(4-cyanopyridine)copper
• Formula: C6 H4 Cl2 Cu N2
• Calculated formula: C6 H4 Cl2 Cu N2
• SMILES: [n]1([Cu](Cl)Cl)ccc(cc1)C#N
• Title of publication: 4-Cyanopyridine, a versatile mono- and bidentate ligand. Crystal structures of related coordination polymers determined by X-ray powder diffraction
• Authors of publication: Zhao, Haishuang; Bodach, Alexander; Heine, Miriam; Krysiak, Yasar; Glinnemann, Jürgen; Alig, Edith; Fink, Lothar; Schmidt, Martin U.
• Journal of publication: CrystEngComm
• Year of publication: 2017
• Journal volume: 19
• Journal issue: 16
• Pages of publication: 2216
• a: 7.96092 ± 0.00038 Å
• b: 27.33624 ± 0.00013 Å
• c: 3.79473 ± 0.00018 Å
• α: 90°
• β: 97.4815 ± 0.0016°
• γ: 90°
• Cell volume: 818.79 ± 0.06 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor R(I) for significantly intense reflections: 0.03203
• Goodness-of-fit parameter for all reflections: 2.091
• Method of determination: powder diffraction
• Diffraction radiation wavelength: 1.5406 Å
• Diffraction radiation type: CuKα~1~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No