Information card for entry 4301080

Structure parameters

• Formula: C62 H60 Cl12 N4 S4 Zn2
• Calculated formula: C62 H60 Cl12 N4 S4 Zn2
• Title of publication: Synthesis and Coordination Properties of Chelating Dithiophenolate Ligands
• Authors of publication: Joachim Ballmann; Michael G. G. Fuchs; Sebastian Dechert; Michael John; Franc Meyer
• Journal of publication: Inorganic Chemistry
• Year of publication: 2009
• Journal volume: 48
• Pages of publication: 90 - 99
• a: 17.7471 ± 0.0006 Å
• b: 11.0026 ± 0.0002 Å
• c: 18.2732 ± 0.0007 Å
• α: 90°
• β: 112.274 ± 0.003°
• γ: 90°
• Cell volume: 3301.86 ± 0.19 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0547
• Residual factor for significantly intense reflections: 0.0373
• Weighted residual factors for significantly intense reflections: 0.0784
• Weighted residual factors for all reflections included in the refinement: 0.0831
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No