Information card for entry 4066999

Structure parameters

• Formula: C46 H38 O2 Y2
• Calculated formula: C46 H38 O2 Y2
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Y]16789%102345[c]2([cH]1[cH]6[cH]7[cH]92)C([O]8[Y]123456789([cH]%11[cH]4[cH]3[cH]2[cH]1%11)[c]1([cH]5[cH]6[cH]7[cH]91)C([O]%108)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1
• Title of publication: Reactions of Cp3Y with Benzophenone: A Simple and Efficient Method for Transformation of Unsubstituted Cyclopentadienyl to Bridgedansa-Cyclopentadienyl/Alkoxyl Ligand
• Authors of publication: Li, Xiaoqing; Hong, Jianquan; Liu, Ruiting; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 20
• Pages of publication: 4606
• a: 15.266 ± 0.005 Å
• b: 18.163 ± 0.006 Å
• c: 15.374 ± 0.005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4263 ± 2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 20
• Hermann-Mauguin space group symbol: C 2 2 21
• Hall space group symbol: C 2c 2
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.0407
• Weighted residual factors for significantly intense reflections: 0.0592
• Weighted residual factors for all reflections included in the refinement: 0.0615
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No