Information card for entry 2227203

Structure parameters

• Chemical name: {2-[(2-Carbamothiolylhydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>S</i>)methyl]-6- hydroxyphenolato-κ<i>O</i>^1^}(triphenylphosphine-κ<i>P</i>)nickel(II) chloride
• Formula: C26 H23 Cl N3 Ni O2 P S
• Calculated formula: C26 H23 Cl N3 Ni O2 P S
• SMILES: [Ni@]12(Oc3c(O)cccc3C=[N]2NC(=[S]1)N)[P](c1ccccc1)(c1ccccc1)c1ccccc1.[Cl-]
• Title of publication: {2-[(2-Carbamothiolylhydrazin-1-ylidene-κ^2^<i>N</i>^1^,<i>S</i>)methyl]-6-hydroxyphenolato-κ<i>O</i>^1^}(triphenylphosphine-κ<i>P</i>)nickel(II) chloride
• Authors of publication: Shawish, Hana Bashir; Tan, Kong Wai; Maah, M. Jamil; Ng, Seik Weng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 9
• Pages of publication: m1074
• a: 7.7902 ± 0.0004 Å
• b: 14.6791 ± 0.0007 Å
• c: 21.741 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2486.2 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.022
• Residual factor for significantly intense reflections: 0.0208
• Weighted residual factors for significantly intense reflections: 0.0532
• Weighted residual factors for all reflections included in the refinement: 0.0538
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes