Information card for entry 2214354

Structure parameters

• Chemical name: [1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazonato- κ^3^S,N^1^,O](pyridine-κN)nickel(II)
• Formula: C19 H16 N4 Ni O S
• Calculated formula: C19 H16 N4 Ni O S
• SMILES: [Ni]12(Oc3ccccc3C=[N]2N=C(S1)Nc1ccccc1)[n]1ccccc1
• Title of publication: [1-(2-Oxidobenzylidene)-4-phenylthiosemicarbazonato-κ^3^<i>S</i>,<i>N</i>^1^,<i>O</i>](pyridine-κ<i>N</i>)nickel(II)
• Authors of publication: Zi-Ying Cao; Deng, Zhao-Peng; Gao, Shan
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 7
• Pages of publication: m1961 - m1962
• a: 5.7294 ± 0.0011 Å
• b: 12.924 ± 0.003 Å
• c: 23.683 ± 0.005 Å
• α: 90°
• β: 95.64 ± 0.03°
• γ: 90°
• Cell volume: 1745.2 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 6
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 c 1
• Hall space group symbol: P -2yc
• Residual factor for all reflections: 0.0771
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0656
• Weighted residual factors for all reflections included in the refinement: 0.0885
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes