Information card for entry 4323406

Structure parameters

• Formula: C18 H24 N2 O2 S2 Zn
• Calculated formula: C18 H24 N2 O2 S2 Zn
• SMILES: [Zn](SC(=O)C)(SC(=O)C)([n]1cc(cc(c1)C)C)[n]1cc(cc(c1)C)C
• Title of publication: Synthesis, Characterization, and Reactivity of Group 12 Metal Thiocarboxylates, M(SOCR)2Lut2 [M = Cd, Zn; R = CH3, C(CH3)3; Lut = 3,5-Dimethylpyridine (Lutidine)]
• Authors of publication: May D. Nyman; Mark J. Hampden-Smith; Eileen N. Duesler
• Journal of publication: Inorganic Chemistry
• Year of publication: 1997
• Journal volume: 36
• Pages of publication: 2218 - 2224
• a: 8.146 ± 0.001 Å
• b: 9.472 ± 0.001 Å
• c: 14.008 ± 0.001 Å
• α: 94.21 ± 0.01°
• β: 90.99 ± 0.01°
• γ: 104.35 ± 0.01°
• Cell volume: 1043.59 ± 0.19 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: 0.044
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for all reflections: 0.1055
• Weighted residual factors for significantly intense reflections: 0.0941
• Goodness-of-fit parameter for all reflections: 0.681
• Goodness-of-fit parameter for significantly intense reflections: 0.747
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No