Information card for entry 2224463

Structure parameters

• Chemical name: <i>trans</i>-Bis(4,6-dimethylpyrimidine-2-thiolato- κ^2^<i>N</i>,<i>S</i>)bis(thiourea-κ<i>S</i>)nickel(II)
• Formula: C14 H22 N8 Ni S4
• Calculated formula: C14 H22 N8 Ni S4
• SMILES: S1[Ni]2([n]3c1nc(cc3C)C)([n]1c(nc(cc1C)C)S2)([S]=C(N)N)[S]=C(N)N
• Title of publication: <i>trans</i>-Bis(4,6-dimethylpyrimidine-2-thiolato-κ^2^<i>N</i>,<i>S</i>)bis(thiourea-κ<i>S</i>)nickel(II)
• Authors of publication: Zhu, Jing; Wang, Jian-Gang; Duan, Taike; Zhang, Qian-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 12
• Pages of publication: m1697
• a: 15.0306 ± 0.0002 Å
• b: 8.5783 ± 0.0001 Å
• c: 16.9274 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2182.57 ± 0.05 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.078
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for significantly intense reflections: 0.086
• Weighted residual factors for all reflections included in the refinement: 0.101
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes