Information card for entry 4309382

Structure parameters

• Formula: C40 H100 Mg3 N9 O4 P3 S3
• Calculated formula: C40 H100 Mg3 N9 O4 P3 S3
• Title of publication: Synthesis and Structures of Aluminum and Magnesium Complexes of Tetraimidophosphates and Trisamidothiophosphates: EPR and DFT Investigations of the Persistent Neutral Radicals {Me2Al[(μ-NR)(μ-NtBu)P(μ-NtBu)2]Li(THF)2}. (R = SiMe3,tBu)
• Authors of publication: Andrea Armstrong; Tristram Chivers; Heikki M. Tuononen; Masood Parvez
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 5778 - 5788
• a: 14.993 ± 0.004 Å
• b: 15.285 ± 0.004 Å
• c: 15.535 ± 0.004 Å
• α: 96.188 ± 0.014°
• β: 102.701 ± 0.016°
• γ: 117.474 ± 0.014°
• Cell volume: 2989.9 ± 1.5 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0648
• Residual factor for significantly intense reflections: 0.0419
• Weighted residual factors for significantly intense reflections: 0.096
• Weighted residual factors for all reflections included in the refinement: 0.1097
• Goodness-of-fit parameter for all reflections included in the refinement: 0.964
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No