Information card for entry 7710230

Structure parameters

• Formula: C70 H96 N4 O4 Si2
• Calculated formula: C70 H96 N4 O4 Si2
• SMILES: [Si]12(O[Si]3(O2)([N](c2c(cccc2C(C)C)C(C)C)=C(N3c2c(cccc2C(C)C)C(C)C)c2ccc(cc2)C(C)(C)C)O)([N](c2c(cccc2C(C)C)C(C)C)=C(N1c1c(cccc1C(C)C)C(C)C)c1ccc(cc1)C(C)(C)C)O
• Title of publication: Facile activation of inert small molecules using a 1,2-disilylene
• Authors of publication: Garg, Palak; Dange, Deepak; Jiang, Yixiao; Jones, Cameron
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 13.0014 ± 0.0004 Å
• b: 15.9395 ± 0.0004 Å
• c: 17.9934 ± 0.0004 Å
• α: 82.276 ± 0.002°
• β: 70.961 ± 0.002°
• γ: 68.515 ± 0.003°
• Cell volume: 3279.49 ± 0.17 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0579
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for significantly intense reflections: 0.1291
• Weighted residual factors for all reflections included in the refinement: 0.1363
• Goodness-of-fit parameter for all reflections included in the refinement: 1.05
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No