Information card for entry 7006843

Structure parameters

• Formula: C116 H208 N8 Na2 O13 Si4
• Calculated formula: C116 H208 N8 Na2 O13 Si4
• SMILES: c12c(cccc1)N(CC(C)(C)C)[Si]1(N2CC(C)(C)C)[Si]2(N(CC(C)(C)C)c3ccccc3N2CC(C)(C)C)[Si]2(N(c3c(N2CC(C)(C)C)cccc3)CC(C)(C)C)[Si]21N(c1ccccc1N2CC(C)(C)C)CC(C)(C)C.C1CC[O](C1)[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1[O](CCC1)[Na]([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)([O]1CCCC1)[O]1CCCC1.C1CCCO1.C1CCCO1
• Title of publication: Insights into the making of a stable silylene.
• Authors of publication: Gehrhus, Barbara; Hitchcock, Peter B.; Pongtavornpinyo, Ruti; Zhang, Lihong
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2006
• Journal issue: 15
• Pages of publication: 1847 - 1857
• a: 14.3212 ± 0.0002 Å
• b: 15.2868 ± 0.0002 Å
• c: 28.9584 ± 0.0004 Å
• α: 85.999 ± 0.001°
• β: 79.241 ± 0.001°
• γ: 89.254 ± 0.001°
• Cell volume: 6213.1 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1318
• Residual factor for significantly intense reflections: 0.1056
• Weighted residual factors for significantly intense reflections: 0.2858
• Weighted residual factors for all reflections included in the refinement: 0.3128
• Goodness-of-fit parameter for all reflections included in the refinement: 0.972
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No