Information card for entry 4350332

Structure parameters

• Chemical name: "7,11-(Etane-1,2-diyldioxydi-o-phenylene-dimethylene)-4,4,6,6- tetrachloro-2(lambda)**5, 4(lambda)**5,6(lambda)**5-triphosphaza(6-P**V)- 1,3,5,7,11-pentaaza-spiro[5.5]dodeca-1,3,5-triene " by "Selen Bilge, Þemsay Demiriz, Aytuð Okumuþ, Zeynel Kýlýç, Barýþ Tercan, Tuncer Hökelek, Orhan Büyükgüngör"
• Formula: C19 H22 Cl4 N5 O2 P3
• Calculated formula: C19 H22 Cl4 N5 O2 P3
• SMILES: ClP1(Cl)=NP2(=NP(Cl)(Cl)=N1)N1CCCN2Cc2c(OCCOc3c(C1)cccc3)cccc2
• Title of publication: Phosphorus-nitrogen compounds. Part 13. Syntheses, crystal structures, spectroscopic, stereogenic, and anisochronic properties of novel spiro-ansa-spiro-, spiro-bino-spiro-, and spiro-crypta phosphazene derivatives.
• Authors of publication: Bilge, Selen; Demiriz, Semsay; Okumus, Aytug; Kiliç, Zeynel; Tercan, Baris; Hökelek, Tuncer; Büyükgüngör, Orhan
• Journal of publication: Inorganic chemistry
• Year of publication: 2006
• Journal volume: 45
• Journal issue: 21
• Pages of publication: 8755 - 8767
• a: 8.547 ± 0.0003 Å
• b: 21.894 ± 0.0011 Å
• c: 26.3773 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4935.9 ± 0.4 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• 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: 0.0406
• Residual factor for significantly intense reflections: 0.0281
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0679
• Goodness-of-fit parameter for all reflections included in the refinement: 0.937
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No