Information card for entry 4305146

Structure parameters

• Formula: C6 H12 Cl6 N8 O2 P6
• Calculated formula: C6 H12 Cl6 N8 O2 P6
• SMILES: N1=[P@@]23N=P(N=[P@@]1(Cl)N1CCCO[P@]41=N[P@](=NP(=N4)(Cl)Cl)(N3CCCO2)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: 8.0754 ± 0.0007 Å
• b: 8.4197 ± 0.0004 Å
• c: 9.2892 ± 0.0006 Å
• α: 104.35 ± 0.005°
• β: 101.583 ± 0.006°
• γ: 114.827 ± 0.004°
• Cell volume: 520.89 ± 0.07 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0264
• Residual factor for significantly intense reflections: 0.0244
• Weighted residual factors for significantly intense reflections: 0.0666
• Weighted residual factors for all reflections included in the refinement: 0.0678
• Goodness-of-fit parameter for all reflections included in the refinement: 1.176
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No