Information card for entry 7035422

Structure parameters

• Common name: Spiro[1,3,2,4]diazaphosphasiletidine_core
• Chemical name: Spiro[1,3,2,4]diazaphosphasiletidine_core
• Formula: C18 H41 Cl5 F Ga N4 P6 Si5
• Calculated formula: C18 H41 Cl5 F Ga N4 P6 Si5
• SMILES: C[Si](C)(C)N1[P+]2(N([Si](C)(C)C)[Si]51N([Si](C)(C)C)P(Cl)N5[Si](C)(C)C)P1P3P2P13.c1(ccccc1)F.[Ga](Cl)([Cl-])(Cl)Cl
• 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: 9.7057 ± 0.0001 Å
• b: 18.1074 ± 0.0003 Å
• c: 23.8559 ± 0.0004 Å
• α: 90°
• β: 93.677 ± 0.001°
• γ: 90°
• Cell volume: 4183.92 ± 0.11 ų
• Cell temperature: 153 ± 1 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 8
• 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: 0.0545
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1379
• Weighted residual factors for all reflections included in the refinement: 0.144
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No