Information card for entry 4350285

Structure parameters

• Formula: C46 H61 Cl Er3 Li O6
• Calculated formula: C46 H61 Cl Er3 Li O6
• SMILES: [Er]123456789([O]([Er]%10%11%12%13%14%15%16%17(O1)([cH]1[cH]%13[cH]%12[cH]%11[cH]%101)[cH]1[cH]%14[cH]%15[cH]%16[cH]%171)[Er]1%10%11%12%13%14%15%16(Cl)([cH]%17[cH]%12[cH]%11[cH]%10[cH]1%17)[cH]1[cH]%13[cH]%14[cH]%15[cH]%161)([cH]1[cH]5[cH]4[cH]3[cH]21)[cH]1[cH]6[cH]7[cH]8[cH]91.[Li]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1
• 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: 10.962 ± 0.003 Å
• b: 15.106 ± 0.004 Å
• c: 28.887 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4783 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.0474
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0986
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No