Information card for entry 7011865

Structure parameters

• Formula: C146 H172 Cu20 O24 P2 S2 Se13
• Calculated formula: C146 H172 Cu20 O24 P2 S2 Se13
• 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: 15.105 ± 0.003 Å
• b: 18.556 ± 0.004 Å
• c: 18.8 ± 0.004 Å
• α: 114.47 ± 0.03°
• β: 103.11 ± 0.03°
• γ: 101.21 ± 0.03°
• Cell volume: 4417 ± 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: 0.0702
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1574
• Weighted residual factors for all reflections included in the refinement: 0.1698
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No