Information card for entry 4305145

Structure parameters

• Formula: C12 H26 Cl8 N8 P6
• Calculated formula: C12 H26 Cl8 N8 P6
• SMILES: C(CCCCC)N1P2(=NP(=NP(=N2)(Cl)Cl)(Cl)Cl)N(CCCCCC)P21=NP(=NP(=N2)(Cl)Cl)(Cl)Cl
• Title of publication: Stable P-N Bridged Cyclophosphazenes with a Spiro or Ansa Arrangement
• Authors of publication: Serap Beşli; Simon J. Coles; David B. Davies; Ayşen O. Erkovan; Michael B. Hursthouse; Adem Kiliç
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 5042 - 5044
• a: 8.6518 ± 0.0001 Å
• b: 11.3633 ± 0.0001 Å
• c: 16.0178 ± 0.0002 Å
• α: 90°
• β: 102.006 ± 0.001°
• γ: 90°
• Cell volume: 1540.31 ± 0.03 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0321
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.0705
• Weighted residual factors for all reflections included in the refinement: 0.0726
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No