Information card for entry 2207109

Structure parameters

• Chemical name: Bis(N-phenylpyrazole-1-carboximidothioato-κ^2^N^2^,S)nickel(II)
• Formula: C20 H16 N6 Ni S2
• Calculated formula: C20 H16 N6 Ni S2
• SMILES: c1ccn2/C(=N/c3ccccc3)S[Ni]3([n]12)[n]1cccn1C(=N\c1ccccc1)\S3
• Title of publication: Bis(<i>N</i>-phenylpyrazole-1-carboximidothioato-κ^2^<i>N</i>^2^,<i>S</i>)nickel(II)
• Authors of publication: Hossaini Sadr, Moayad; Sardroodi, Jahanbin; Shagagi, Zohre; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 10
• Pages of publication: m1955 - m1956
• a: 5.9847 ± 0.0005 Å
• b: 21.365 ± 0.002 Å
• c: 7.87 ± 0.0006 Å
• α: 90°
• β: 103.605 ± 0.001°
• γ: 90°
• Cell volume: 978.05 ± 0.14 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.086
• Residual factor for significantly intense reflections: 0.065
• Weighted residual factors for significantly intense reflections: 0.16
• Weighted residual factors for all reflections included in the refinement: 0.173
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes