Information card for entry 4320854

Structure parameters

• Common name: dTBDMSbipy
• Chemical name: 4,4'-di-(tert-butyldimethylsilylmethyl)-2,2'-bipyridine
• Formula: C24 H40 N2 Si2
• Calculated formula: C24 H40 N2 Si2
• SMILES: C([Si](C)(C(C)(C)C)C)c1ccnc(c2nccc(C[Si](C)(C)C(C)(C)C)c2)c1
• Title of publication: Synthesis, Characterization, and Polymerization Activity of [Bis(4,4'-bis(neophyldimethylsilylmethyl)-2,2'-bipyridyl)copper(I)] + CuBr2- and Implications for Copper(I) Catalyst Structures in Atom Transfer Radical Polymerization
• Authors of publication: Amy T. Levy; Marilyn M. Olmstead; Timothy E. Patten
• Journal of publication: Inorganic Chemistry
• Year of publication: 2000
• Journal volume: 39
• Pages of publication: 1628 - 1634
• a: 7.029 ± 0.001 Å
• b: 7.676 ± 0.002 Å
• c: 13.205 ± 0.003 Å
• α: 95.66 ± 0.02°
• β: 90.49 ± 0.02°
• γ: 114.75 ± 0.02°
• Cell volume: 642.9 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0676
• Residual factor for significantly intense reflections: 0.055
• Weighted residual factors for significantly intense reflections: 0.1378
• Weighted residual factors for all reflections included in the refinement: 0.1484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No