Information card for entry 7118527

Structure parameters

• Formula: C60 H95 B2 N6 O0.5 Si3
• Calculated formula: C58 H90 B2 N6 Si3
• SMILES: [Si](N(B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C)N(B1N(C=CN1c1c(cccc1C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C)[Si](C)(C)C
• 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: 13.12 ± 0.0002 Å
• b: 22.789 ± 0.0002 Å
• c: 21.2 ± 0.0003 Å
• α: 90°
• β: 103.706 ± 0.001°
• γ: 90°
• Cell volume: 6158.13 ± 0.14 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/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0433
• Residual factor for significantly intense reflections: 0.0382
• Weighted residual factors for significantly intense reflections: 0.103
• Weighted residual factors for all reflections included in the refinement: 0.1075
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No