Information card for entry 7025246

Structure parameters

• Common name: trans-N3P3(NHCH2CH2S)3
• Formula: C6 H15 N6 P3 S3
• Calculated formula: C6.048 H15.115 N6.019 P3 S3.019
• Title of publication: Synthesis and optical properties of sulfur-containing monomers and cyclomatrix polyphosphazenes.
• Authors of publication: Fushimi, Toshiki; Allcock, Harry R.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 22
• Pages of publication: 5349 - 5355
• a: 11.316 ± 0.002 Å
• b: 16.802 ± 0.004 Å
• c: 15.148 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2880.1 ± 1 ų
• Cell temperature: 133 ± 2 K
• Ambient diffraction temperature: 133 ± 2 K
• Number of distinct elements: 5
• 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: 0.0584
• Residual factor for significantly intense reflections: 0.0538
• Weighted residual factors for significantly intense reflections: 0.1287
• Weighted residual factors for all reflections included in the refinement: 0.1306
• Goodness-of-fit parameter for all reflections included in the refinement: 1.268
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No