Information card for entry 4067502

Structure parameters

• Formula: C66 H84 Al2 N2 O2 P4 S2 Si2
• Calculated formula: C66 H84 Al2 N2 O2 P4 S2 Si2
• SMILES: C[Al]12C(=P(c3ccccc3)(c3ccccc3)N1[Si](C)(C)C)P(=[S][Al]1(C)C(=P(c3ccccc3)(c3ccccc3)N1[Si](C)(C)C)P(=[S]2)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1.O(CC)CC.O(CC)CC
• Title of publication: Synthesis and Characterization of Magnesium and Aluminum Bis(phosphoranyl)methanediide Complexes
• Authors of publication: Guo, Jiayi; Lee, Jia-Shin; Foo, Ming-Choo; Lau, Kai-Chung; Xi, Hong-Wei; Lim, Kok Hwa; So, Cheuk-Wai
• Journal of publication: Organometallics
• Year of publication: 2010
• Journal volume: 29
• Journal issue: 4
• Pages of publication: 939
• a: 10.9906 ± 0.0001 Å
• b: 20.9657 ± 0.0003 Å
• c: 15.584 ± 0.0002 Å
• α: 90°
• β: 108.78 ± 0.001°
• γ: 90°
• Cell volume: 3399.78 ± 0.08 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 103 ± 2 K
• Number of distinct elements: 8
• 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: 0.0702
• Residual factor for significantly intense reflections: 0.0415
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1373
• Goodness-of-fit parameter for all reflections included in the refinement: 1.12
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No