Information card for entry 7703404

Structure parameters

• Formula: C70 H104 O P2 S6 Si6 Zn2
• Calculated formula: C70 H104 O P2 S6 Si6 Zn2
• Title of publication: Homoleptic trimethylsilylchalcogenolato zincates [Zn(ESiMe₃)₃]^- and stannanides [Sn(ESiMe₃)₃]^- (E = S, Se): precursors in solution-based low-temperature binary metal chalcogenide and Cu₂ZnSnS₄ (CZTS) synthesis.
• Authors of publication: Guschlbauer, Jannick; Vollgraff, Tobias; Sundermeyer, Jörg
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 8
• Pages of publication: 2517 - 2526
• a: 11.687 ± 0.002 Å
• b: 18.89 ± 0.004 Å
• c: 18.77 ± 0.004 Å
• α: 90°
• β: 98.27 ± 0.03°
• γ: 90°
• Cell volume: 4100.7 ± 1.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0385
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0649
• Weighted residual factors for all reflections included in the refinement: 0.069
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No