Information card for entry 2200981

Structure parameters

• Formula: C28 H19 Cl2 N8 O12 P3
• Calculated formula: C28 H19 Cl2 N8 O12 P3
• SMILES: ClP12Oc3ccc(N(=O)=O)cc3Cc3cc(N(=O)=O)ccc3OP(Cl)(=NP3(Oc4ccc(N(=O)=O)cc4Cc4cc(N(=O)=O)ccc4O3)=N2)N=1.N#CC
• Title of publication: 2,2-[2,2'-Methylenebis(4-nitrophenoxy)]-4,6-[2,2'-methylenebis(4-nitrophenoxy)]-4,6-dichloro-1,3,5,2λ^5^,4λ^5^,6λ^5^-triazatriphosphorine (spiro-ansa) acetonitrile
• Authors of publication: Öztürk, Levent; Hökelek, Tuncer; Dal, Hakan; Kılıç, Zeynel
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 1
• Pages of publication: o20 - o23
• a: 11.5487 ± 0.001 Å
• b: 11.857 ± 0.001 Å
• c: 15.0238 ± 0.001 Å
• α: 97.493 ± 0.01°
• β: 109.989 ± 0.01°
• γ: 109.776 ± 0.01°
• Cell volume: 1747.5 ± 0.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0991
• Residual factor for significantly intense reflections: 0.0667
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.1939
• Goodness-of-fit parameter for all reflections included in the refinement: 1.043
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: Cukα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes