Information card for entry 7023503

Structure parameters

• Formula: C42 H80 Al2 N2 O6 Si4
• Calculated formula: C42 H80 Al2 N2 O6 Si4
• SMILES: C[Al]1(O[Si](C)(N(c2c(cccc2C(C)C)C(C)C)[Si](C)(C)C)O[Al](C)(O[Si](C)(N(c2c(cccc2C(C)C)C(C)C)[Si](C)(C)C)O1)[O]1CCCC1)[O]1CCCC1
• Title of publication: Synthesis of metallasiloxanes of group 13-15 and their application in catalysis.
• Authors of publication: Li, Yan; Wang, Jinjin; Wu, Yile; Zhu, Hongping; Samuel, Prinson P.; Roesky, Herbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 37
• Pages of publication: 13715 - 13722
• a: 10.273 ± 0.002 Å
• b: 11.09 ± 0.002 Å
• c: 12.605 ± 0.003 Å
• α: 97.36 ± 0.03°
• β: 97.64 ± 0.03°
• γ: 114.32 ± 0.03°
• Cell volume: 1270.1 ± 0.6 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: 0.1312
• Residual factor for significantly intense reflections: 0.0725
• Weighted residual factors for significantly intense reflections: 0.1384
• Weighted residual factors for all reflections included in the refinement: 0.1565
• Goodness-of-fit parameter for all reflections included in the refinement: 1.012
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No