Information card for entry 4310915

Structure parameters

• Common name: [(bmmp-TASN)Zn]
• Chemical name: [(bmmp-TASN)Zn]
• Formula: C12 H26 N2 S2 Zn
• Calculated formula: C12 H26 N2 S2 Zn
• SMILES: C1(C[N]2(CC[N]3([Zn]2(S1)SC(C3)(C)C)C)C)(C)C
• Title of publication: Synthesis and Oxygenation of a Nickel(II) and Zinc(II) Dithiolate: An Experimental and Theoretical Comparison
• Authors of publication: Craig A. Grapperhaus; Christopher S. Mullins; Pawel M. Kozlowski; Mark S. Mashuta
• Journal of publication: Inorganic Chemistry
• Year of publication: 2004
• Journal volume: 43
• Pages of publication: 2859 - 2866
• a: 7.083 ± 0.003 Å
• b: 11.497 ± 0.004 Å
• c: 20.83 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1696.3 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.143
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.088
• Goodness-of-fit parameter for all reflections included in the refinement: 1.01
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No