Information card for entry 4077249

Structure parameters

• Formula: C20 H48 Al2 N4 P2 S2
• Calculated formula: C20 H48 Al2 N4 P2 S2
• SMILES: C[Al]1(C)N(C(C)(C)C)P2(N(C(C)(C)C)P3(N(C(C)(C)C)[Al](C)(C)[S]=3)N2C(C)(C)C)=[S]1
• Title of publication: Trispirocyclic Bis(dimethylaluminum)bis(amido)cyclodiphosph(V)azanes
• Authors of publication: Lief, Graham R.; Carrow, Christopher J.; Stahl, Lothar; Staples, Richard J.
• Journal of publication: Organometallics
• Year of publication: 2001
• Journal volume: 20
• Journal issue: 8
• Pages of publication: 1629
• a: 10.1296 ± 0.0005 Å
• b: 15.5105 ± 0.0007 Å
• c: 19.7311 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3100.1 ± 0.3 ų
• Cell temperature: 213 ± 2 K
• Ambient diffraction temperature: 213 ± 2 K
• Number of distinct elements: 6
• Space group number: 60
• Hermann-Mauguin space group symbol: P b c n
• Hall space group symbol: -P 2n 2ab
• Residual factor for all reflections: 0.1135
• Residual factor for significantly intense reflections: 0.078
• Weighted residual factors for significantly intense reflections: 0.2055
• Weighted residual factors for all reflections included in the refinement: 0.2357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.162
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No