Information card for entry 7035420

Structure parameters

• Formula: C12 H36 Cl11 Ga3 N4 P10 Si5
• Calculated formula: C12 H36 Cl11 Ga3 N4 P10 Si5
• SMILES: [Ga]([Cl][Ga](Cl)(Cl)Cl)(Cl)(Cl)Cl.[Ga]([Cl-])(Cl)(Cl)Cl.[P+]12(N([Si](C)(C)C)[Si]3(N([Si](C)(C)C)[P+]4(P5P6P4P56)N3[Si](C)(C)C)N2[Si](C)(C)C)P2P3P1P23
• Title of publication: Formation of the spirocyclic, Si-centered cage cations [ClP(NSiMe3)2Si(NSiMe3)2P5](+) and [P5(NSiMe3)2Si(NSiMe3)2P5](2.).
• Authors of publication: Holthausen, M. H.; Weigand, J. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2016
• Journal volume: 45
• Journal issue: 5
• Pages of publication: 1953 - 1961
• a: 13.7339 ± 0.0007 Å
• b: 25.0441 ± 0.0012 Å
• c: 14.6026 ± 0.0007 Å
• α: 90°
• β: 92.797 ± 0.001°
• γ: 90°
• Cell volume: 5016.6 ± 0.4 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.038
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0773
• Weighted residual factors for all reflections included in the refinement: 0.0811
• Goodness-of-fit parameter for all reflections included in the refinement: 1.044
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No