Information card for entry 2103114

Structure parameters

• Formula: C26 H24 Cl3 N4 P3
• Calculated formula: C26 H24 Cl3 N4 P3
• SMILES: P1(Cl)(Cl)=NP(Cl)(=NP(c2ccccc2)(=N1)c1ccccc1)N(Cc1ccccc1)Cc1ccccc1
• 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: 11.657 ± 0.002 Å
• b: 8.5838 ± 0.0017 Å
• c: 13.783 ± 0.003 Å
• α: 90°
• β: 96.41 ± 0.03°
• γ: 90°
• Cell volume: 1370.5 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 7
• Hermann-Mauguin space group symbol: P 1 n 1
• Hall space group symbol: P -2yac
• Residual factor for all reflections: 0.0878
• Residual factor for significantly intense reflections: 0.0461
• Weighted residual factors for significantly intense reflections: 0.0706
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No