Information card for entry 7104010

Structure parameters

• Formula: C212 H358 Cu36 N84 O149
• Calculated formula: C192 H198 Cu36 N84 O168
• Title of publication: Structural and magnetic properties of a self-assembled spheroidal triakonta-hexanuclear Cu36 cluster
• Authors of publication: Abedin, Tareque S. M.; Thompson, Laurence K.; Miller, David O.; Krupicka, Erik
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 6
• Pages of publication: 708 - 709
• a: 26.023 ± 0.003 Å
• b: 26.291 ± 0.003 Å
• c: 42.147 ± 0.005 Å
• α: 80.586 ± 0.003°
• β: 84.344 ± 0.002°
• γ: 61.558 ± 0.002°
• Cell volume: 25006 ± 5 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.2623
• Residual factor for significantly intense reflections: 0.1521
• Weighted residual factors for significantly intense reflections: 0.4114
• Weighted residual factors for all reflections included in the refinement: 0.4674
• Goodness-of-fit parameter for all reflections included in the refinement: 1.277
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No