Information card for entry 7116235

Structure parameters

• Formula: C105 H184 Cu27 N20 O104
• Calculated formula: C100.5 H135.62 Cu27 N20 O99.5
• Title of publication: A magnetically highly frustrated Cu(II)27 coordination cluster containing a Cu18 folded-sheet motif.
• Authors of publication: Kühne, Irina A; Kostakis, George E.; Anson, Christopher E.; Powell, Annie K.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2015
• Journal volume: 51
• Journal issue: 13
• Pages of publication: 2702 - 2705
• a: 31.939 ± 0.003 Å
• b: 18.8704 ± 0.0016 Å
• c: 32.73 ± 0.003 Å
• α: 90°
• β: 117.116 ± 0.002°
• γ: 90°
• Cell volume: 17558 ± 3 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 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: 0.063
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.139
• Weighted residual factors for all reflections included in the refinement: 0.149
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.8 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No