Information card for entry 2235716

Structure parameters

• Chemical name: Bis(cyanato-κ<i>N</i>)tetrakis(2,6-dimethylpyrazine-κ<i>N</i>^4^)nickel(II)
• Formula: C26 H32 N10 Ni O2
• Calculated formula: C26 H32 N10 Ni O2
• SMILES: C(=N[Ni]([n]1cc(C)nc(c1)C)([n]1cc(C)nc(c1)C)(N=C=O)([n]1cc(C)nc(c1)C)[n]1cc(C)nc(c1)C)=O
• Title of publication: Bis(cyanato-κ<i>N</i>)tetrakis(2,6-dimethylpyrazine-κ<i>N</i>^4^)nickel(II)
• Authors of publication: Wöhlert, Susanne; Jess, Inke; Näther, Christian
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m970
• a: 24.932 ± 0.002 Å
• b: 8.4963 ± 0.0003 Å
• c: 18.1748 ± 0.0013 Å
• α: 90°
• β: 133.148 ± 0.007°
• γ: 90°
• Cell volume: 2808.9 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0618
• Residual factor for significantly intense reflections: 0.0386
• Weighted residual factors for significantly intense reflections: 0.093
• Weighted residual factors for all reflections included in the refinement: 0.1019
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes