Information card for entry 2228128

Structure parameters

• Chemical name: (6-Hydroxy-2-{[2-(<i>N</i>-methylcarbamothiolyl)hydrazin-1-ylidene- κ^2^<i>N</i>^1^,<i>S</i>]methyl}phenolato-κ<i>O</i>^1^)(triphenylphosphane- κ<i>P</i>)nickel(II) chloride
• Formula: C27 H25 Cl N3 Ni O2 P S
• Calculated formula: C27 H25 Cl N3 Ni O2 P S
• SMILES: [Ni]12(Oc3c(O)cccc3C=[N]2NC(=[S]1)NC)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Title of publication: (6-Hydroxy-2-{[2-(<i>N</i>-methylcarbamothiolyl)hydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>S</i>]methyl}phenolato-κ<i>O</i>^1^)(triphenylphosphane-κ<i>P</i>)nickel(II) chloride
• Authors of publication: Shawish, Hana Bashir; Maah, M. Jamil; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m1366
• a: 15.7781 ± 0.0015 Å
• b: 10.6306 ± 0.001 Å
• c: 17.002 ± 0.0015 Å
• α: 90°
• β: 113.961 ± 0.001°
• γ: 90°
• Cell volume: 2606 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0866
• Residual factor for significantly intense reflections: 0.0607
• Weighted residual factors for significantly intense reflections: 0.1496
• Weighted residual factors for all reflections included in the refinement: 0.1771
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes