Information card for entry 4301081

Structure parameters

• Formula: C52 H78 N2 S2 Zn
• Calculated formula: C52 H78 N2 S2 Zn
• 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: 13.5908 ± 0.0003 Å
• b: 14.5658 ± 0.0005 Å
• c: 25.4526 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5038.6 ± 0.2 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0617
• Residual factor for significantly intense reflections: 0.0483
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1098
• 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: Yes
• Has Fobs: No