Information card for entry 7003568

Structure parameters

• Common name: 1,3-Bis-(2,6-diisopropylphenyl)-4,5-dimethyl-2-(1,3-bis-(2,6- diisopropyl-phenyl)-4,5-dimethyl-2-oxo-2lambda5-1,3,2- diazaphospholenylimino)-2lambda5-1,3,2-diazaphospholenylamine
• Chemical name: 1,3-Bis-(2,6-diisopropylphenyl)-4,5-dimethyl-2-[1,3-bis-(2,6-diisopropyl- phenyl)-4,5-dimethyl-2-oxo-2lambda5-1,3,2-diazaphospholenylimino]- 2lambda5-1,3,2-diazaphospholenylamine
• Formula: C70 H98 N6 O P2
• Calculated formula: C70 H98 N6 O P2
• Title of publication: Phosphazene vs.diazaphospholene PN-bond cleavage in spirocyclic cyclodiphosphazenes
• Authors of publication: Burck, Sebastian; Gudat, Dietrich; Nieger, Martin; Schalley, Christoph A.; Weilandt, Torsten
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 26
• Pages of publication: 3478 - 3485
• a: 13.279 ± 0.003 Å
• b: 14.542 ± 0.003 Å
• c: 17.751 ± 0.004 Å
• α: 102.26 ± 0.03°
• β: 103.09 ± 0.03°
• γ: 99.46 ± 0.03°
• Cell volume: 3180.3 ± 1.4 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1805
• Residual factor for significantly intense reflections: 0.0794
• Weighted residual factors for significantly intense reflections: 0.1758
• Weighted residual factors for all reflections included in the refinement: 0.2192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No