Information card for entry 7118531

Structure parameters

• Formula: C58 H90 B2 N6 O2 Si3
• Calculated formula: C58 H90 B2 N6 O2 Si3
• SMILES: [Si]1(OC(c2c(N3B(N(C=C3)c3c(cccc3C(C)C)C(C)C)N1[Si](C)(C)C)c(ccc2)C(C)C)(C)C)(N(B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C)O
• Title of publication: Stabilization of a two-coordinate, acyclic diaminosilylene (ADASi): completion of the series of isolable diaminotetrylenes, :E(NR2)2 (E = group 14 element).
• Authors of publication: Hadlington, Terrance J.; Abdalla, Joseph A. B.; Tirfoin, Rémi; Aldridge, Simon; Jones, Cameron
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2016
• Journal volume: 52
• Journal issue: 8
• Pages of publication: 1717 - 1720
• a: 13.17 ± 0.0002 Å
• b: 20.129 ± 0.0003 Å
• c: 22.951 ± 0.0004 Å
• α: 90°
• β: 104.647 ± 0.002°
• γ: 90°
• Cell volume: 5886.56 ± 0.17 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0525
• Residual factor for significantly intense reflections: 0.0448
• Weighted residual factors for significantly intense reflections: 0.1187
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.022
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No