Information card for entry 7102578

Structure parameters

• Formula: C84 H174 Cl6 Cu8 N24 Na2 O54
• Calculated formula: C84 H150 Cl5.98 Cu8 N24 Na2 O55.97
• Title of publication: Self-assembly and magnetic properties of a double-propeller octanuclear copper(II) complex with a meso-helicate-type metallacryptand core.
• Authors of publication: Pardo, Emilio; Bernot, Kevin; Julve, Miguel; Lloret, Francesc; Cano, Joan; Ruiz-García, Rafael; Pasán, Jorge; Ruiz-Pérez, Catalina; Ottenwaelder, Xavier; Journaux, Yves
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2004
• Journal issue: 8
• Pages of publication: 920 - 921
• a: 17.4169 ± 0.0011 Å
• b: 17.4169 ± 0.0011 Å
• c: 31.739 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 8338.1 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 188
• Hermann-Mauguin space group symbol: P -6 c 2
• Hall space group symbol: P -6c 2
• Residual factor for all reflections: 0.2243
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.1473
• Weighted residual factors for all reflections included in the refinement: 0.3789
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No