Information card for entry 7055762

Structure parameters

• Formula: C16 H26 Cl8 N10 P6
• Calculated formula: C16 H26 Cl8 N10 P6
• SMILES: ClP1(Cl)=NP(Cl)(Cl)=NP2(=N1)N(CCN2Cc1cccc(c1)CN1P2(=NP(Cl)(Cl)=NP(Cl)(Cl)=N2)N(CC1)CC)CC
• Title of publication: Phosphorus‒nitrogen compounds. Part 36. Syntheses, Langmuir‒Blodgett thin films and biological activities of spiro-bino-spiro trimeric phosphazenes
• Authors of publication: Asmafiliz, Nuran; Kılıç, Zeynel; Civan, Mehmet; Avcı, Orhan; Yasemin Gönder (née Koç), L.; Açık, Leyla; Aydın, Betül; Türk, Mustafa; Hökelek, Tuncer
• Journal of publication: New J. Chem.
• Year of publication: 2016
• Journal volume: 40
• Journal issue: 11
• Pages of publication: 9609
• a: 12.5574 ± 0.0006 Å
• b: 17.0478 ± 0.0008 Å
• c: 16.6323 ± 0.0008 Å
• α: 90°
• β: 108.227 ± 0.002°
• γ: 90°
• Cell volume: 3381.9 ± 0.3 ų
• Cell temperature: 99 ± 2 K
• Ambient diffraction temperature: 99 ± 2 K
• Number of distinct elements: 5
• 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: 0.0869
• Residual factor for significantly intense reflections: 0.0551
• Weighted residual factors for significantly intense reflections: 0.105
• Weighted residual factors for all reflections included in the refinement: 0.1259
• Goodness-of-fit parameter for all reflections included in the refinement: 1.088
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No