Information card for entry 7716376

Structure parameters

• Formula: C40 H48 N4 S4 Zn2
• Calculated formula: C40 H48 N4 S4 Zn2
• Title of publication: Zinc and Cadmium thioamidate complexes: Rational design of single-source precursors for the AACVD of ZnS
• Authors of publication: Johnson, Andrew Lee; Robson, Max
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 9.9334 ± 0.0004 Å
• b: 17.3065 ± 0.0005 Å
• c: 12.9808 ± 0.0005 Å
• α: 90°
• β: 111.491 ± 0.004°
• γ: 90°
• Cell volume: 2076.41 ± 0.14 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 5
• 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: 0.0434
• Residual factor for significantly intense reflections: 0.0311
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0653
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No