Information card for entry 4079766

Structure parameters

• Formula: C26 H39 Ca I O4
• Calculated formula: C26 H39 Ca I O4
• Title of publication: Synthesis and Molecular Structures of Meta-Substituted Arylcalcium Iodides
• Authors of publication: Köhler, Mathias; Langer, Jens; Görls, Helmar; Westerhausen, Matthias
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 24
• Pages of publication: 8647
• a: 12.1149 ± 0.0004 Å
• b: 13.5272 ± 0.0003 Å
• c: 8.3474 ± 0.0003 Å
• α: 90°
• β: 99.737 ± 0.001°
• γ: 90°
• Cell volume: 1348.27 ± 0.07 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• Space group number: 8
• Hermann-Mauguin space group symbol: C 1 m 1
• Hall space group symbol: C -2y
• Residual factor for all reflections: 0.0223
• Residual factor for significantly intense reflections: 0.0219
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0486
• Goodness-of-fit parameter for all reflections included in the refinement: 1.036
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No