Information card for entry 2215409

Structure parameters

• Chemical name: Tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(thiocyanato-κ<i>N</i>)nickel(II)
• Formula: C14 H16 N10 Ni S2
• Calculated formula: C14 H16 N10 Ni S2
• SMILES: C(=N[Ni]([n]1ccc[nH]1)([n]1[nH]ccc1)([n]1ccc[nH]1)(N=C=S)[n]1ccc[nH]1)=S
• Title of publication: Tetrakis(1<i>H</i>-pyrazole-κ<i>N</i>^2^)bis(thiocyanato-κ<i>N</i>)nickel(II)
• Authors of publication: Yan, Huai Yi
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 10
• Pages of publication: m2602 - m2602
• a: 14.046 ± 0.003 Å
• b: 10.863 ± 0.002 Å
• c: 14.862 ± 0.003 Å
• α: 90°
• β: 117.485 ± 0.002°
• γ: 90°
• Cell volume: 2011.7 ± 0.7 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 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: 0.0414
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.0893
• Weighted residual factors for all reflections included in the refinement: 0.0925
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes