Information card for entry 7704387

Structure parameters

• Formula: C28 H52 N2 O8 S4 Zn
• Calculated formula: C28 H52 N2 O8 S4 Zn
• SMILES: [Zn]12(SC(C(=O)OC)=C(S1)C(=O)OC)SC(C(=O)OC)=C(S2)C(=O)OC.[N+](CC)(CC)(CC)CC.C([N+](CC)(CC)CC)C
• Title of publication: Sulfur transfer reactions of a zinc tetrasulfanido complex.
• Authors of publication: Ballesteros Ii, Moises; Tsui, Emily Y.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 45
• Pages of publication: 16305 - 16311
• a: 8.8573 ± 0.001 Å
• b: 9.1035 ± 0.001 Å
• c: 25.109 ± 0.003 Å
• α: 80.268 ± 0.002°
• β: 86.33 ± 0.002°
• γ: 61.618 ± 0.001°
• Cell volume: 1755.3 ± 0.3 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 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: 0.0233
• Residual factor for significantly intense reflections: 0.0207
• Weighted residual factors for significantly intense reflections: 0.0517
• Weighted residual factors for all reflections included in the refinement: 0.0531
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No