Information card for entry 2008973

Structure parameters

• Chemical name: Bis[3-methyl-1-hydroxy-2(1H)-pyridinethioato-O,S]nickel(II)
• Formula: C12 H12 N2 Ni O2 S2
• Calculated formula: C12 H12 N2 Ni O2 S2
• SMILES: [Ni]12([S]=C3C(=CC=CN3O1)C)[S]=c1n(O2)cccc1C
• Title of publication: Bis[1-hydroxy-3-methylpyridine-2(1<i>H</i>)-thionato-<i>O</i>,<i>S</i>]nickel(II)
• Authors of publication: S. Shanmuga Sundara Raj; Hoong-Kun Fun; De-Zhong Niu; Zai-Sheng Lu; Bai-Wang Sun; Bao-Lin Song; Xiao-Zeng You
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 9
• Pages of publication: 1410 - 1411
• a: 7.3437 ± 0.0003 Å
• b: 24.6375 ± 0.0008 Å
• c: 7.4493 ± 0.0003 Å
• α: 90°
• β: 93.295 ± 0.001°
• γ: 90°
• Cell volume: 1345.58 ± 0.09 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.062
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No