Information card for entry 4123102

Structure parameters

• Formula: C46 H60 Fe Li Lu N2 O Si2
• Calculated formula: C46 H60 Fe Li Lu N2 O Si2
• SMILES: [Lu]12(N([Si](C)(C)C(C)(C)C)[c]3([cH]4[cH]5[cH]6[cH]73)[Fe]4567389%10[c]4([cH]3[cH]8[cH]9[cH]%104)[N]2([Si](C)(C)C(C)(C)C)[Li]([O]2CCCC2)[C]21C=Cc3ccccc3C=2)c1ccc2ccccc2c1
• Title of publication: Bimetallic Cleavage of Aromatic C-H Bonds by Rare-Earth-Metal Complexes.
• Authors of publication: Huang, Wenliang; Dulong, Florian; Khan, Saeed I.; Cantat, Thibault; Diaconescu, Paula L.
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2014
• Pages of publication: 141208061549006
• a: 11.682 ± 0.004 Å
• b: 11.922 ± 0.004 Å
• c: 17.793 ± 0.005 Å
• α: 80.603 ± 0.003°
• β: 86.689 ± 0.003°
• γ: 62.727 ± 0.003°
• Cell volume: 2172.6 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.031
• Residual factor for significantly intense reflections: 0.0258
• Weighted residual factors for significantly intense reflections: 0.0554
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No