Information card for entry 4121212

Structure parameters

• Common name: KM45
• Formula: C27 H42 K0.75 O6 Y0.75
• Calculated formula: C27 H42 K0.75 O6 Y0.75
• Title of publication: Magnetic Blocking at 10 K and a Dipolar-Mediated Avalanche in Salts of the Bis(η8-cyclooctatetraenide) Complex [Er(COT)2]-
• Authors of publication: Katie R. Meihaus; Jeffrey R. Long
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2013
• Journal volume: 135
• Pages of publication: 17952 - 17957
• a: 13.0729 ± 0.0004 Å
• b: 15.5542 ± 0.0005 Å
• c: 15.738 ± 0.0005 Å
• α: 72.594 ± 0.001°
• β: 77.347 ± 0.001°
• γ: 67.149 ± 0.001°
• Cell volume: 2794.62 ± 0.15 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0819
• Residual factor for significantly intense reflections: 0.0764
• Weighted residual factors for significantly intense reflections: 0.208
• Weighted residual factors for all reflections included in the refinement: 0.2139
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No