Information card for entry 7019636

Structure parameters

• Chemical name: bis(μ~2~-ethane-1,2-disulfido)-bis(triisopropylphosphine)-bis(phenylsulfido)-dimethyl-di-copper-di-gallium tetrahydrofuran solvate
• Formula: C44 H82 Cu2 Ga2 O2 P2 S6
• Calculated formula: C44 H82 Cu2 Ga2 O2 P2 S6
• SMILES: C[Ga]1([S]2[Cu]([P](C(C)C)(C(C)C)C(C)C)[S](CC2)[Ga](C)([S]2CC[S]1[Cu]2[P](C(C)C)(C(C)C)C(C)C)Sc1ccccc1)Sc1ccccc1.C1CCCO1.C1CCCO1
• 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: 10.5998 ± 0.001 Å
• b: 11.507 ± 0.0011 Å
• c: 13.6932 ± 0.0015 Å
• α: 67.29 ± 0.007°
• β: 72.432 ± 0.008°
• γ: 65.161 ± 0.007°
• Cell volume: 1378.6 ± 0.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0764
• Residual factor for significantly intense reflections: 0.0535
• Weighted residual factors for significantly intense reflections: 0.1306
• Weighted residual factors for all reflections included in the refinement: 0.1409
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No