Information card for entry 7001383

Structure parameters

• Common name: Cu16 S10, 4(C16 H36 N), 2(C4 H10 O)
• Chemical name: Cu16 S10, 4(C16 H36 N), 2(C4 H10 O)
• Formula: C72 H164 Cu16 N4 O2 S10
• Calculated formula: C64 H144 Cu16 N4 S10
• Title of publication: A [Cu16S10]4− cluster containing μ3- and μ4-sulfido ligands
• Authors of publication: Yang, Lei; Wang, Zhaodong; Powell, Douglas R.; Houser, Robert P.
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 23
• Pages of publication: 4439 - 4441
• a: 61.939 ± 0.011 Å
• b: 61.939 ± 0.011 Å
• c: 27.657 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 91889 ± 4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.125
• Residual factor for significantly intense reflections: 0.1067
• Weighted residual factors for significantly intense reflections: 0.2886
• Weighted residual factors for all reflections included in the refinement: 0.2996
• Goodness-of-fit parameter for all reflections included in the refinement: 1.068
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No