Information card for entry 7227898

Structure parameters

• Common name: Dichloro-bis(4-cyanopyridine)Nickel
• Chemical name: Dichloro-bis(4-cyanopyridine)Nickel
• Formula: C12 H8 Cl2 N4 Ni
• Calculated formula: C12 H8 Cl2 N4 Ni
• SMILES: c1cc(C#N)cc[n]1[Ni]1([n]2ccc(cc2)C#N)([Cl][Ni]([n]2ccc(cc2)C#N)([n]2ccc(cc2)C#N)[Cl]1)(Cl)Cl
• 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: 26.4504 ± 0.0007 Å
• b: 7.16668 ± 0.00019 Å
• c: 3.58904 ± 0.00007 Å
• α: 90°
• β: 92.474 ± 0.004°
• γ: 90°
• Cell volume: 679.71 ± 0.03 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: 0.0085
• Goodness-of-fit parameter for all reflections: 1.366
• 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