Information card for entry 7038679

Structure parameters

• Formula: C98 H116 Lu3 N6 S2
• Calculated formula: C98 H116 Lu3 N6 S2
• Title of publication: Small molecule activation by mixed methyl/methylidene rare earth metal complexes.
• Authors of publication: Hong, Jianquan; Li, Zhenhua; Chen, Zhening; Weng, Linhong; Zhou, Xigeng; Zhang, Lixin
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 15
• Pages of publication: 6641 - 6649
• a: 52.952 ± 0.019 Å
• b: 15.75 ± 0.006 Å
• c: 28.184 ± 0.01 Å
• α: 90°
• β: 120.002 ± 0.005°
• γ: 90°
• Cell volume: 20356 ± 13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.1035
• Residual factor for significantly intense reflections: 0.0517
• Weighted residual factors for significantly intense reflections: 0.1081
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 0.864
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No