Information card for entry 2232886

Structure parameters

• Common name: work
• Chemical name: Bis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>N</i>)nickel(II)
• Formula: C22 H18 N8 Ni S2
• Calculated formula: C22 H18 N8 Ni S2
• SMILES: [Ni]12([n]3ccccc3Nc3cccc[n]13)([n]1ccccc1Nc1cccc[n]21)(N=C=S)N=C=S
• Title of publication: Bis(di-2-pyridylamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Dobrzańska, Liliana
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1868 - m1869
• a: 8.605 ± 0.004 Å
• b: 16.41 ± 0.009 Å
• c: 16.556 ± 0.01 Å
• α: 90°
• β: 107.894 ± 0.008°
• γ: 90°
• Cell volume: 2225 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.1034
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1441
• Weighted residual factors for all reflections included in the refinement: 0.1605
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes