Information card for entry 7041767

Structure parameters

• Formula: C84 H117 Cu6 I2 N10 O1.5
• Calculated formula: C84 H117 Cu6 I2 N10 O1.5
• Title of publication: Isolation of an unusual [Cu6] nanocluster through sequential addition of copper(i) to a polynucleating ligand.
• Authors of publication: Phanopoulos, Andreas; Warren, Mark; White, Andrew J. P.; Horton, Andrew; Crimmin, Mark R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2017
• Journal volume: 46
• Journal issue: 7
• Pages of publication: 2077 - 2080
• a: 26.77 ± 0.0005 Å
• b: 15.1245 ± 0.0003 Å
• c: 22.514 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9115.5 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0448
• Residual factor for significantly intense reflections: 0.0345
• Weighted residual factors for significantly intense reflections: 0.0789
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No