Information card for entry 7035621

Structure parameters

• Formula: C44 H91 Cr3 O22
• Calculated formula: C44.0028 H88.0056 Cr3 O22.0012
• Title of publication: Effects of the Dzyaloshinskii-Moriya interaction in Cr3 triangular spin clusters detected by specific heat and multi-frequency electron spin resonance.
• Authors of publication: Ghirri, Alberto; van Tol, Johan; Vitorica-Yrezabal, Inigo; Timco, Grigore A.; Winpenny, Richard E. P.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 31
• Pages of publication: 14027 - 14033
• a: 12.292 ± 0.0006 Å
• b: 12.292 ± 0.0006 Å
• c: 22.719 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 2972.8 ± 0.3 ų
• Cell temperature: 150.01 ± 0.1 K
• Ambient diffraction temperature: 150.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 194
• Hermann-Mauguin space group symbol: P 63/m m c
• Hall space group symbol: -P 6c 2c
• Residual factor for all reflections: 0.0919
• Residual factor for significantly intense reflections: 0.0732
• Weighted residual factors for significantly intense reflections: 0.1961
• Weighted residual factors for all reflections included in the refinement: 0.2107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No