Information card for entry 7006609

Structure parameters

• Formula: C26 H30 Er N3 O2
• Calculated formula: C26 H30 Er N3 O2
• SMILES: [Er]123456789([n]%10n(c(cc%10C)C)/C(=N/c%10ccccc%10)O1)([cH]1[cH]2[cH]3[cH]9[cH]41)([cH]1[cH]5[cH]6[cH]7[cH]81)[O]1CCCC1
• Title of publication: Unusual modification methods for the ureido ligand of lanthanocene derivatives.
• Authors of publication: Zhang, Jie; Cai, Ruifang; Weng, Linhong; Zhou, Xigeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 9
• Pages of publication: 1168 - 1173
• a: 17.842 ± 0.007 Å
• b: 7.947 ± 0.003 Å
• c: 18.988 ± 0.007 Å
• α: 90°
• β: 114.686 ± 0.004°
• γ: 90°
• Cell volume: 2446.3 ± 1.6 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: 0.0482
• Residual factor for significantly intense reflections: 0.0359
• Weighted residual factors for significantly intense reflections: 0.0807
• Weighted residual factors for all reflections included in the refinement: 0.0854
• Goodness-of-fit parameter for all reflections included in the refinement: 0.984
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No