Information card for entry 4331159

Structure parameters

• Formula: C17 H18 Cl4 N6 O2 P4
• Calculated formula: C17 H18 Cl4 N6 O2 P4
• SMILES: ClP12Oc3c(cccc3)CN3P4(=N1)N=P(Cl)(Oc1c(CN4CCC3)cccc1)N=P(Cl)(Cl)N=2
• Title of publication: Phosphorus-Nitrogen Compounds. Part 24. Syntheses, Crystal Structures, Spectroscopic and Stereogenic Properties, Biological Activities, and DNA Interactions of Novel Spiro-ansa-spiro- and Ansa-spiro-ansa-cyclotetraphosphazenes
• Authors of publication: Gamze Elmas; Aytuğ Okumuş; Zeynel Kiliç; Tuncer Hökelek; Leyla Açik; Hakan Dal; Nagehan Ramazanoğlu; L.Yasemin Koç
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 12841 - 12856
• a: 9.9387 ± 0.0003 Å
• b: 11.7933 ± 0.0003 Å
• c: 20.7778 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2435.37 ± 0.12 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0217
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections included in the refinement: 0.0558
• Goodness-of-fit parameter for all reflections included in the refinement: 1.087
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No