Information card for entry 2103113

Structure parameters

• Formula: C28 H28 Cl4 N5 P3
• Calculated formula: C28 H28 Cl4 N5 P3
• SMILES: P1(Cl)(Cl)=NP(Cl)(N(Cc2ccccc2)Cc2ccccc2)=NP(Cl)(N(Cc2ccccc2)Cc2ccccc2)=N1
• Title of publication: Structural investigations of phosphorus‒nitrogen compounds. 4. Steric and electronic effects in dibenzylamino derivatives of hexachlorocyclotriphosphazatriene and 4,4,6,6-tetrachloro-2,2-diphenylcyclotriphosphazatriene
• Authors of publication: Beşli, Serap; Coles, Simon J.; Davies, David B.; Hursthouse, Michael B.; Kılıç, Adem; Mayer, Thomas A.; Shaw, Robert A.; Uslu, Aylin
• Journal of publication: Acta Crystallographica, Section B: Structural Science
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 3
• Pages of publication: 545 - 552
• a: 18.294 ± 0.004 Å
• b: 17.411 ± 0.004 Å
• c: 19.047 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6067 ± 2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0681
• Residual factor for significantly intense reflections: 0.0385
• Weighted residual factors for significantly intense reflections: 0.0912
• Weighted residual factors for all reflections included in the refinement: 0.1043
• Goodness-of-fit parameter for all reflections included in the refinement: 0.873
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No