Information card for entry 4350279

Structure parameters

• Formula: C40 H42 Er2 O4
• Calculated formula: C40 H42 Er2 O4
• SMILES: [cH]12[cH]3[cH]4[cH]5[cH]1[Er]16789%102345([cH]2[cH]1[cH]6[cH]7[cH]82)[O]=C([O]9[Er]123456789([cH]%11[cH]1[cH]2[cH]3[cH]4%11)([cH]1[cH]5[cH]6[cH]7[cH]91)[O]=C([O]%108)[C@@H](CC)c1ccccc1)[C@H](CC)c1ccccc1
• Title of publication: Reactivity of lanthanocene hydroxides toward ketene, isocyanate, lanthanocene alkyl, and triscyclopentadienyllanthanide complexes.
• Authors of publication: Zhang, Chunmei; Liu, Ruiting; Zhang, Jie; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 5867 - 5877
• a: 10.787 ± 0.004 Å
• b: 8.545 ± 0.003 Å
• c: 19.523 ± 0.007 Å
• α: 90°
• β: 90.759 ± 0.005°
• γ: 90°
• Cell volume: 1799.4 ± 1.1 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0312
• Weighted residual factors for significantly intense reflections: 0.0609
• Weighted residual factors for all reflections included in the refinement: 0.0643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No