Information card for entry 4087401

Structure parameters

• Formula: C28 H28 I O3
• Calculated formula: C28 H28 I O3
• Title of publication: Synthesis, Structural Characterization, and Reactivity of a Fluorene-Based Calcium Oxycyclopentadienide Complex
• Authors of publication: Wei, Baosheng; Li, Heng; Zhang, Wen-Xiong; Xi, Zhenfeng
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 7
• Pages of publication: 1339
• a: 8.5711 ± 0.0005 Å
• b: 11.9149 ± 0.0004 Å
• c: 12.8621 ± 0.0006 Å
• α: 79.408 ± 0.003°
• β: 75.046 ± 0.004°
• γ: 78.587 ± 0.004°
• Cell volume: 1231.67 ± 0.1 ų
• Cell temperature: 180.01 ± 0.1 K
• Ambient diffraction temperature: 180.01 ± 0.1 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0846
• Weighted residual factors for all reflections included in the refinement: 0.091
• Goodness-of-fit parameter for all reflections included in the refinement: 1.063
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No