Information card for entry 7011864

Structure parameters

• Formula: C220 H204 Cu22 O2 P8 S8 Se16
• Calculated formula: C220 H204 Cu22 O2 P8 S8 Se16
• Title of publication: New copper selenium clusters with a sulfur functionalised ligand shell
• Authors of publication: Fuhr, Olaf; Meredith, Anthony; Fenske, Dieter
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2002
• Journal issue: 22
• Pages of publication: 4091
• a: 17.164 ± 0.003 Å
• b: 19.871 ± 0.004 Å
• c: 20.644 ± 0.004 Å
• α: 70.6 ± 0.03°
• β: 74.31 ± 0.03°
• γ: 66.62 ± 0.03°
• Cell volume: 6017 ± 3 ų
• Cell temperature: 203 ± 2 K
• Ambient diffraction temperature: 203 ± 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: 0.0925
• Residual factor for significantly intense reflections: 0.0647
• Weighted residual factors for significantly intense reflections: 0.1745
• Weighted residual factors for all reflections included in the refinement: 0.2018
• Goodness-of-fit parameter for all reflections included in the refinement: 0.961
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No