Information card for entry 4301082

Structure parameters

• Formula: C62 H68 N4 S4 Zn2
• Calculated formula: C62 H68 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: 11.0651 ± 0.0005 Å
• b: 11.7647 ± 0.0005 Å
• c: 12.4259 ± 0.0006 Å
• α: 66.503 ± 0.003°
• β: 85.194 ± 0.004°
• γ: 74.564 ± 0.004°
• Cell volume: 1429.48 ± 0.12 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0336
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections included in the refinement: 0.0696
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No