Information card for entry 4131913

Structure parameters

• Formula: C26 H54 Ca2 I2 O6
• Calculated formula: C26 H54 Ca2 I2 O6
• Title of publication: Dimethylcalcium.
• Authors of publication: Wolf, Benjamin M.; Stuhl, Christoph; Maichle-Mössmer, Cäcilia; Anwander, Reiner
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2018
• Journal volume: 140
• Journal issue: 6
• Pages of publication: 2373 - 2383
• a: 19.866 ± 0.003 Å
• b: 7.7093 ± 0.0011 Å
• c: 22.122 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3388 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0802
• Residual factor for significantly intense reflections: 0.0689
• Weighted residual factors for significantly intense reflections: 0.1414
• Weighted residual factors for all reflections included in the refinement: 0.1461
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No