Information card for entry 4081755

Structure parameters

• Common name: Sad237
• Formula: C31 H49 B F10 Mg N2 Si4
• Calculated formula: C31 H49 B F10 Mg N2 Si4
• SMILES: [Mg]12([H][B]([H]1)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F)([N]1(CCCC1)CC[N]12CCCC1)[Si]([Si](C)(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Nucleophilicity of Neutral versus Cationic Magnesium Silyl Compounds
• Authors of publication: Yan, KaKing; Upton, Brianna M.; Zhu, Jing; Ellern, Arkady; Sadow, Aaron D.
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6834
• a: 11.6998 ± 0.0014 Å
• b: 18.478 ± 0.002 Å
• c: 18.553 ± 0.002 Å
• α: 90°
• β: 96.818 ± 0.002°
• γ: 90°
• Cell volume: 3982.6 ± 0.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• 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: 0.099
• Residual factor for significantly intense reflections: 0.0774
• Weighted residual factors for significantly intense reflections: 0.2058
• Weighted residual factors for all reflections included in the refinement: 0.2277
• Goodness-of-fit parameter for all reflections included in the refinement: 1.037
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No