Information card for entry 7105380

Structure parameters

• Formula: C144 H156 Cu6 N24 O48 S12
• Calculated formula: C144 H108 Cu6 N24 O48.01 S12
• Title of publication: Self-assembly of neutral hexanuclear circular copper(II) meso-helicates: topological control by sulfate ions.
• Authors of publication: Tanh Jeazet, Harold B; Gloe, Kerstin; Doert, Thomas; Kataeva, Olga N; Jäger, Anne; Geipel, Gerhard; Bernhard, Gert; Büchner, Bernd; Gloe, Karsten
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 14
• Pages of publication: 2373 - 2375
• a: 23.7647 ± 0.0006 Å
• b: 23.7647 ± 0.0006 Å
• c: 25.3824 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 12414.5 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0837
• Residual factor for significantly intense reflections: 0.0539
• Weighted residual factors for significantly intense reflections: 0.1382
• Weighted residual factors for all reflections included in the refinement: 0.1578
• Goodness-of-fit parameter for all reflections included in the refinement: 1.086
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No