Information card for entry 4087400

Structure parameters

• Formula: C88 H104 Ca4 O13
• Calculated formula: C88 H104 Ca4 O13
• 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: 13.492 ± 0.003 Å
• b: 15.653 ± 0.003 Å
• c: 19.514 ± 0.004 Å
• α: 109.69 ± 0.03°
• β: 92.03 ± 0.03°
• γ: 91.21 ± 0.03°
• Cell volume: 3875.4 ± 1.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.078
• Residual factor for significantly intense reflections: 0.0662
• Weighted residual factors for significantly intense reflections: 0.1558
• Weighted residual factors for all reflections included in the refinement: 0.1629
• 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: Yes
• Has Fobs: No