Information card for entry 4123101

Structure parameters

• Formula: C40 H61 Fe Lu N2 O2 Si2
• Calculated formula: C40 H61 Fe Lu N2 O2 Si2
• SMILES: [Lu]1(N([Si](C)(C)C(C)(C)C)[c]2([cH]3[cH]4[cH]5[cH]62)[Fe]3456789%10[c]2([cH]7[cH]8[cH]%10[cH]92)N1[Si](C)(C)C(C)(C)C)([O]1CCCC1)([O]1CCCC1)c1cccc2ccccc12
• 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: 15.367 ± 0.005 Å
• b: 13.525 ± 0.004 Å
• c: 19.513 ± 0.006 Å
• α: 90°
• β: 104.036 ± 0.003°
• γ: 90°
• Cell volume: 3934 ± 2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0461
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0916
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No