Information card for entry 7110278

Structure parameters

• Formula: C18 H48 Cl9 Cu3 N9
• Calculated formula: C18 H51 Cl9 Cu3 N9
• Title of publication: Supramolecular assembly of ligand-directed triangular {CuII3Cl} clusters with spin frustration and spin-chain behaviourElectronic supplementary information (ESI) available: full synthetic and analytical details. See http://www.rsc.org/suppdata/cc/b4/b402487g/
• Authors of publication: Seeber, Georg; K�gerler, Paul; Kariuki, Benson M.; Cronin, Leroy
• Journal of publication: Chemical Communications
• Year of publication: 2004
• Journal issue: 14
• Pages of publication: 1580 - 1581
• a: 12.68 ± 0.002 Å
• b: 12.68 ± 0.002 Å
• c: 12.6287 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1758.4 ± 0.4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 176
• Hermann-Mauguin space group symbol: P 63/m
• Hall space group symbol: -P 6c
• Residual factor for all reflections: 0.0838
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1104
• Weighted residual factors for all reflections included in the refinement: 0.1326
• Goodness-of-fit parameter for all reflections included in the refinement: 1.155
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No