Information card for entry 7034999

Structure parameters

• Formula: C94 H138 Lu2 O8
• Calculated formula: C94 H138 Lu2 O8
• SMILES: c1c2C3c4c(O[Lu]56([O]7CCCC7)[O](c2c(cc1C(C)(C)C)C(C)(C)C)[Lu]1([O]5c2c(cc(cc2C(c2c(O1)c(cc(c2)C(C)(C)C)C(C)(C)C)c1c(O6)c(cc(c1)C(C)(C)C)C(C)(C)C)C(C)(C)C)C(C)(C)C)(Oc1c3cc(C(C)(C)C)cc1C(C)(C)C)[O]1CCCC1)c(cc(c4)C(C)(C)C)C(C)(C)C
• Title of publication: Carbon bridged triphenolate lanthanide complexes: synthesis, characterization, DFT studies and catalytic activities for isoprene polymerization.
• Authors of publication: Zhang, Min; Liang, Zhenhua; Ling, Jun; Ni, Xufeng; Shen, Zhiquan
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 24
• Pages of publication: 11182 - 11190
• a: 14.4829 ± 0.0004 Å
• b: 18.0577 ± 0.0005 Å
• c: 21.7071 ± 0.0007 Å
• α: 90°
• β: 89.676 ± 0.003°
• γ: 90°
• Cell volume: 5676.9 ± 0.3 ų
• Cell temperature: 170 ± 2 K
• Ambient diffraction temperature: 170 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0625
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.1158
• Weighted residual factors for all reflections included in the refinement: 0.1268
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No