Information card for entry 7056207

Structure parameters

• Formula: C22 H30 Cl4 F2 N8 P4
• Calculated formula: C22 H30 Cl4 F2 N8 P4
• SMILES: P12(=NP(Cl)(Cl)=NP3(=NP(Cl)(Cl)=N1)N(C)CCCN3Cc1ccc(F)cc1)N(C)CCCN2Cc1ccc(F)cc1
• Title of publication: Phosphorus-nitrogen compounds. Part 37. Syntheses and structural characterizations, biological activities of mono and bis(4-fluorobenzyl)spirocyclotetraphosphazenes
• Authors of publication: Elmas, Gamze; Okumuş, Aytuğ; Sevinç, Pelin; Kılıç, Zeynel; Açık, Leyla; Atalan, Mustafa; Turk, Mustafa; Deniz, Gökberk; Hökelek, Tuncer
• Journal of publication: New J. Chem.
• Year of publication: 2017
• Journal volume: 41
• Journal issue: 13
• Pages of publication: 5818 - 5835
• a: 37.3694 ± 0.0012 Å
• b: 10.3766 ± 0.0003 Å
• c: 15.8615 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6150.6 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• 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: 0.0835
• Residual factor for significantly intense reflections: 0.0482
• Weighted residual factors for significantly intense reflections: 0.0872
• Weighted residual factors for all reflections included in the refinement: 0.0984
• Goodness-of-fit parameter for all reflections included in the refinement: 1.038
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No