Information card for entry 4106593

Structure parameters

• Chemical name: trans-2,4-Bis{bis[bis(trimethylsilyl)methyl]isopropylsilyl}-2,4-dichloro- 1,3-bis(3,5-dimethylphenyl)-1,3-diaza-2,4-disilacyclobutane
• Formula: C50 H108 Cl2 N2 Si12
• Calculated formula: C50 H108 Cl2 N2 Si12
• SMILES: C([Si](C([Si](C)(C)C)[Si](C)(C)C)([Si]1(N(c2cc(cc(c2)C)C)[Si](N1c1cc(cc(c1)C)C)(Cl)[Si](C([Si](C)(C)C)[Si](C)(C)C)(C([Si](C)(C)C)[Si](C)(C)C)C(C)C)Cl)C(C)C)([Si](C)(C)C)[Si](C)(C)C
• Title of publication: Access to a Stable Si2N2 Four-Membered Ring with Non-Kekulé Singlet Biradical Character from a Disilyne
• Authors of publication: Katsuhiko Takeuchi; Masaaki Ichinohe; Akira Sekiguchi
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2011
• Journal volume: 133
• Pages of publication: 12478 - 12481
• a: 9.949 ± 0.0005 Å
• b: 13.7022 ± 0.0007 Å
• c: 14.5004 ± 0.0007 Å
• α: 101.017 ± 0.001°
• β: 106.539 ± 0.001°
• γ: 109.213 ± 0.001°
• Cell volume: 1698.56 ± 0.15 ų
• Cell temperature: 150 ± 0.1 K
• Ambient diffraction temperature: 150 ± 0.1 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: 0.0402
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for significantly intense reflections: 0.1006
• Weighted residual factors for all reflections included in the refinement: 0.1055
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No