Information card for entry 7019633

Structure parameters

• Chemical name: bis(μ~2~-ethane-1,2-disulfido)-tetrakis(triisopropylphosphine)-tetra-copper
• Formula: C40 H92 Cu4 P4 S4
• Calculated formula: C40 H92 Cu4 P4 S4
• SMILES: C1C[S]2[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]1[Cu]([P](C(C)C)(C(C)C)C(C)C)[S]1CC[S]([Cu]1[P](C(C)C)(C(C)C)C(C)C)[Cu]2[P](C(C)C)(C(C)C)C(C)C
• Title of publication: New organometallic single-source precursors for CuGaS(2)- polytypism in gallite nanocrystals obtained by thermolysis.
• Authors of publication: Kluge, Oliver; Friedrich, Dirk; Wagner, Gerald; Krautscheid, Harald
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 28
• Pages of publication: 8635 - 8642
• a: 11.4153 ± 0.0006 Å
• b: 21.14 ± 0.001 Å
• c: 11.077 ± 0.0006 Å
• α: 90°
• β: 100.105 ± 0.005°
• γ: 90°
• Cell volume: 2631.6 ± 0.2 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0268
• Residual factor for significantly intense reflections: 0.0197
• Weighted residual factors for significantly intense reflections: 0.0427
• Weighted residual factors for all reflections included in the refinement: 0.0439
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No