Information card for entry 7025244

Structure parameters

• Common name: cis-N3P3Cl2(NHCH2CH2S)2
• Chemical name: cis-N3P3Cl2(NHCH2CH2S)2
• Formula: C4 H10 Cl2 N5 P3 S2
• Calculated formula: C4 H10 Cl2 N5 P3 S2
• SMILES: C1CNP2(=NP3(=NP(Cl)(Cl)=N2)NCCS3)S1
• 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: 9.1908 ± 0.0006 Å
• b: 13.5389 ± 0.0009 Å
• c: 21.866 ± 0.0015 Å
• α: 90°
• β: 94.675 ± 0.001°
• γ: 90°
• Cell volume: 2711.8 ± 0.3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0478
• Residual factor for significantly intense reflections: 0.038
• Weighted residual factors for significantly intense reflections: 0.0971
• Weighted residual factors for all reflections included in the refinement: 0.1026
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No