Information card for entry 7007791

Structure parameters

• Formula: C108 H105 As4 Cu4 O3 P4 S6
• Calculated formula: C108 H105 As4 Cu4 O3 P4 S6
• SMILES: [As]12([Cu]3([S]4[As]([Cu]5([S]2[Cu]2([As]6(S[As]([Cu]4([S]56)[P](c4ccccc4)(c4ccccc4)c4ccccc4)([S]32)c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)[P](c2ccccc2)(c2ccccc2)c2ccccc2)(S1)c1ccccc1)[P](c1ccccc1)(c1ccccc1)c1ccccc1)c1ccccc1.C1CCCO1.C1CCCO1.C1CCCO1
• Title of publication: Copper-mediated cleavage of disulfides by tertiary phosphines: a new route to As-S anions.
• Authors of publication: Langer, Robert; Shi, Weifeng; Rothenberger, Alexander
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 37
• Pages of publication: 4435 - 4437
• a: 26.626 ± 0.002 Å
• b: 19.8281 ± 0.0009 Å
• c: 19.0953 ± 0.001 Å
• α: 90°
• β: 99.87 ± 0.005°
• γ: 90°
• Cell volume: 9932 ± 1 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1014
• Residual factor for significantly intense reflections: 0.0516
• Weighted residual factors for significantly intense reflections: 0.1032
• Weighted residual factors for all reflections included in the refinement: 0.1174
• Goodness-of-fit parameter for all reflections included in the refinement: 0.939
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No