Information card for entry 7017740

Structure parameters

• Formula: C90 H144 Cl14 Er8 N4 O13
• Calculated formula: C90 H144 Cl14 Er8 N4 O13
• SMILES: CC1=C2C(C)=[N](c3c(cccc3C(C)C)C(C)C)[Er]345([O]6CCCC6)[O]67[Er](N1c1c(cccc1C(C)C)C(C)C)([O]23)([O]1CCCC1)(Cl)[Cl][Er]1236([Cl]4)([O]4CCCC4)[O]46[Er]789([O]7CCCC7)([Cl]5)[Cl][Er]56([O]6CCCC6)([Cl]9)([Cl]2)[O]26[Er]79([Cl]5)([O]5CCCC5)[N](c5c(cccc5C(C)C)C(C)C)=C(C)C5=C(C)N(c%10c(cccc%10C(C)C)C(C)C)[Er]2([O]75)([O]2CCCC2)(Cl)[Cl][Er]46([Cl]1)([O]1CCCC1)([Cl]9)([Cl]3)[Cl]8
• Title of publication: Oxidation and coupling of β-diketiminate ligand in lanthanide complexes: novel eight-nuclear lanthanide clusters with μ-, μ3-Cl, and μ4-O bridge.
• Authors of publication: Zhang, Jie; Zhang, Zhengxing; Chen, Zhenxia; Zhou, Xigeng
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 2
• Pages of publication: 357 - 359
• a: 28.632 ± 0.004 Å
• b: 31.254 ± 0.005 Å
• c: 16.142 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 14445 ± 4 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 41
• Hermann-Mauguin space group symbol: A b a 2
• Hall space group symbol: A 2 -2ab
• Residual factor for all reflections: 0.0417
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0717
• Weighted residual factors for all reflections included in the refinement: 0.0749
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No