Information card for entry 4320856

Structure parameters

• Common name: dNEObipy
• Chemical name: 4,4'-di-(neophyldimethylsilylmethyl)-2,2'-bipyridine
• Formula: C36 H48 N2 Si2
• Calculated formula: C36 H48 N2 Si2
• SMILES: c1c(c2cc(ccn2)C[Si](C)(C)CC(C)(C)c2ccccc2)nccc1C[Si](C)(C)CC(C)(C)c1ccccc1
• 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: 7.9701 ± 0.0009 Å
• b: 22.075 ± 0.002 Å
• c: 9.3996 ± 0.0011 Å
• α: 90°
• β: 98.42 ± 0.009°
• γ: 90°
• Cell volume: 1635.9 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 4
• 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: 0.0496
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0938
• Weighted residual factors for all reflections included in the refinement: 0.0988
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No