Information card for entry 4350283

Structure parameters

• Formula: C35 H41 Er2 N O4
• Calculated formula: C35 H41 Er2 N O4
• SMILES: [Er]123456789(N(C%10=[O][Er]%11%12%13%14%15%16%17%18([O]1%10)([O]1CCCC1)([cH]1[cH]%18[cH]%11[cH]%12[cH]%131)[cH]1[cH]%17[cH]%14[cH]%15[cH]%161)c1ccccc1)([O]1CCCC1)([cH]1[cH]2[cH]3[cH]4[cH]51)[cH]1[cH]6[cH]9[cH]7[cH]81
• 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: 17.132 ± 0.005 Å
• b: 16.122 ± 0.005 Å
• c: 11.839 ± 0.004 Å
• α: 90°
• β: 94.353 ± 0.004°
• γ: 90°
• Cell volume: 3260.5 ± 1.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• 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: 0.0389
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0548
• Weighted residual factors for all reflections included in the refinement: 0.0585
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No