Information card for entry 2235471

Structure parameters

• Chemical name: [2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κ<i>N</i>]hydrazin-1- ylidene-κ<i>N</i>^1^}ethyl)phenolato-κ<i>O</i>](pyridine-κ<i>N</i>)nickel(II)
• Formula: C16 H18 N4 Ni O S
• Calculated formula: C16 H18 N4 Ni O S
• SMILES: [Ni]12(Oc3ccccc3C(=[N]1N=C(SCC)N2)C)[n]1ccccc1
• Title of publication: [2-(1-{2-[Azanidyl(ethylsulfanyl)methylidene-κ<i>N</i>]hydrazin-1-ylidene-κ<i>N</i>^1^}ethyl)phenolato-κ<i>O</i>](pyridine-κ<i>N</i>)nickel(II)
• Authors of publication: Takjoo, Reza; Ng, Seik Weng; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 7
• Pages of publication: m911
• a: 7.2956 ± 0.0004 Å
• b: 9.8463 ± 0.0005 Å
• c: 21.7489 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1562.32 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0509
• Residual factor for significantly intense reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0698
• Weighted residual factors for all reflections included in the refinement: 0.075
• Goodness-of-fit parameter for all reflections included in the refinement: 0.997
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes