Information card for entry 7108655

Structure parameters

• Formula: C66 H89 N6 O2 Y
• Calculated formula: C66 H89 N6 O2 Y
• SMILES: [Y]1([O]2CCCC2)([O]2CCCC2)(n2cc(c3c2cccc3)/C=N/C(C)(C)C)(n2cc(c3c2cccc3)/C=N/C(C)(C)C)[N](=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C.Cc1ccccc1
• Title of publication: Rare-earth metal complexes having an unusual indolyl-1,2-dianion through C‒H activation with a novel η1:(μ2‒η1:η1) bonding with metals
• Authors of publication: Zhu, Xiancui; Zhou, Shuangliu; Wang, Shaowu; Wei, Yun; Zhang, Lijun; Wang, Fenhua; Wang, Shaoyin; Feng, Zhijun
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2012
• Journal volume: 48
• Journal issue: 98
• Pages of publication: 12020 - 12022
• a: 11.863 ± 0.0012 Å
• b: 13.341 ± 0.0014 Å
• c: 20.967 ± 0.002 Å
• α: 106.19 ± 0.006°
• β: 102.549 ± 0.013°
• γ: 91.116 ± 0.007°
• Cell volume: 3099.2 ± 0.6 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0447
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0982
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No