Information card for entry 2211308

Structure parameters

• Chemical name: Bis(O-benzyl dithiocarbonato-κ^2^S,S')bis(3-methylpyridine-κN)nickel(II)
• Formula: C28 H28 N2 Ni O2 S4
• Calculated formula: C28 H28 N2 Ni O2 S4
• SMILES: [Ni]12([S]=C(OCc3ccccc3)S1)([n]1cc(ccc1)C)([n]1cc(ccc1)C)[S]=C(OCc1ccccc1)S2
• Title of publication: Bis(<i>O</i>-benzyl dithiocarbonato-κ^2^<i>S</i>,<i>S</i>')bis(3-methylpyridine-κ<i>N</i>)nickel(II)
• Authors of publication: Campian, Marius; Haiduc, Ionel; Tiekink, Edward R. T.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 12
• Pages of publication: m3516 - m3517
• a: 6.6339 ± 0.0007 Å
• b: 9.7275 ± 0.001 Å
• c: 11.7926 ± 0.0011 Å
• α: 72.178 ± 0.002°
• β: 86.966 ± 0.002°
• γ: 79.262 ± 0.002°
• Cell volume: 711.78 ± 0.12 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.088
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes