Information card for entry 7119846

Structure parameters

• Formula: C99.5 H87 Cl2 Cu8 N9 O9.5 S16
• Calculated formula: C99.5 H87 Cl2 Cu8 N9 O9.5 S16
• Title of publication: Mixed valence copper-sulfur clusters of highest nuclearity: a Cu8 wheel and a Cu16 nanoball.
• Authors of publication: Maji, Ram Chandra; Das, Partha Pratim; Bhandari, Anirban; Mishra, Saikat; Maji, Milan; Ghiassi, Kamran B.; Olmstead, Marilyn M.; Patra, Apurba K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2017
• Journal volume: 53
• Journal issue: 23
• Pages of publication: 3334 - 3337
• a: 18.757 ± 0.005 Å
• b: 30.586 ± 0.005 Å
• c: 20.498 ± 0.005 Å
• α: 90 ± 0.005°
• β: 92.805 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 11746 ± 5 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.153
• Residual factor for significantly intense reflections: 0.0842
• Weighted residual factors for significantly intense reflections: 0.2136
• Weighted residual factors for all reflections included in the refinement: 0.2496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No