Information card for entry 7041768

Structure parameters

• Chemical name: Cu4 cluster
• Formula: C86 H122 Cu4 N10 O2
• Calculated formula: C86 H122 Cu4 N10 O2
• 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: 26.805 ± 0.0006 Å
• b: 11.3607 ± 0.0004 Å
• c: 27.7024 ± 0.0007 Å
• α: 90°
• β: 98.596 ± 0.002°
• γ: 90°
• Cell volume: 8341.3 ± 0.4 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0869
• Residual factor for significantly intense reflections: 0.0515
• Weighted residual factors for significantly intense reflections: 0.1176
• Weighted residual factors for all reflections included in the refinement: 0.1333
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0086
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.6889 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No