Information card for entry 7040585

Structure parameters

• Formula: C522 H700 Cu52 P8 S40
• Calculated formula: C522 H700 Cu52 P8 S40
• Title of publication: Synthesis and molecular structure of a spheroidal binary nanoscale copper sulfide cluster.
• Authors of publication: Bestgen, Sebastian; Fuhr, Olaf; Roesky, Peter W.; Fenske, Dieter
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 38
• Pages of publication: 14907 - 14910
• a: 41.0006 ± 0.0008 Å
• b: 31.9188 ± 0.0004 Å
• c: 45.9429 ± 0.0009 Å
• α: 90°
• β: 113.674 ± 0.001°
• γ: 90°
• Cell volume: 55065.2 ± 1.7 ų
• Cell temperature: 150.15 K
• Ambient diffraction temperature: 150.15 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0999
• Residual factor for significantly intense reflections: 0.0513
• Weighted residual factors for significantly intense reflections: 0.1128
• Weighted residual factors for all reflections included in the refinement: 0.1263
• Goodness-of-fit parameter for all reflections included in the refinement: 0.804
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54186 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No