Information card for entry 7703406

Structure parameters

• Formula: C66 H94 P2 Se6 Si6 Zn2
• Calculated formula: C66 H94 P2 Se6 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: 12.36 ± 0.006 Å
• b: 12.641 ± 0.006 Å
• c: 14.29 ± 0.007 Å
• α: 104.645 ± 0.014°
• β: 108.529 ± 0.013°
• γ: 105.841 ± 0.014°
• Cell volume: 1890.2 ± 1.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.0547
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No