Information card for entry 4337398

Structure parameters

• Chemical name: Bis((2,4,6,2'',4'',6''-hexamethyl-1,1':3';1''-terphenyl- 2')amido)tetramethyldisilazanido-N,N',N"-cerium hemi(n-heptane)solvate
• Formula: C52 H62 Ce N3 Si2
• Calculated formula: C52 H62 Ce N3 Si2
• SMILES: [Ce]12N([Si](C)(N2[Si](N1c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)(C)C)C)c1c(cccc1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C
• Title of publication: Formation of Novel T-Shaped NNN Ligands via Rare-Earth Metal-Mediated Si-H Activation.
• Authors of publication: Bubrin, Denis; Niemeyer, Mark
• Journal of publication: Inorganic chemistry
• Year of publication: 2014
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 1269 - 1271
• a: 10.3733 ± 0.0015 Å
• b: 48.263 ± 0.007 Å
• c: 10.9263 ± 0.0016 Å
• α: 90°
• β: 113.932 ± 0.003°
• γ: 90°
• Cell volume: 4999.9 ± 1.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1761
• Residual factor for significantly intense reflections: 0.0641
• Weighted residual factors for significantly intense reflections: 0.1076
• Weighted residual factors for all reflections included in the refinement: 0.1367
• Goodness-of-fit parameter for all reflections included in the refinement: 0.86
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No