Information card for entry 4032392

Structure parameters

• Common name: Lu3N@IhC80 NHC
• Chemical name: Lu3N@IhC80 NHC
• Formula: C219 H72 Lu6 N6 O0 S10
• Calculated formula: C219 H72 Lu5.999 N6 S10
• Title of publication: Evidence of Oxygen Activation in the Reaction between an N-Heterocyclic Carbene and M3N@Ih(7)-C80: An Unexpected Method of Steric Hindrance Release.
• Authors of publication: Chen, Muqing; Shen, Wangqiang; Peng, Ping; Bao, Lipiao; Zhao, Shasha; Xie, Yunpeng; Jin, Peng; Fang, Hongyun; Li, Fang-Fang; Lu, Xing
• Journal of publication: The Journal of organic chemistry
• Year of publication: 2017
• Journal volume: 82
• Journal issue: 7
• Pages of publication: 3500 - 3505
• a: 11.028 ± 0.005 Å
• b: 17.708 ± 0.005 Å
• c: 19.684 ± 0.005 Å
• α: 99.143 ± 0.005°
• β: 106.102 ± 0.005°
• γ: 106.977 ± 0.005°
• Cell volume: 3410 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0529
• Weighted residual factors for significantly intense reflections: 0.1301
• Weighted residual factors for all reflections included in the refinement: 0.1395
• Goodness-of-fit parameter for all reflections included in the refinement: 1.091
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No