Information card for entry 7003565

Structure parameters

• Common name: 1,4,8,11-Tetrakis-(2,6-dimethylphenyl)-1,4,6,8,11,12-hexaaza- 5lambda$5,7lambda5-diphospha-dispiro(4.1.4.1)dodeca-2,9-diene
• Chemical name: 1,4,8,11-Tetrakis-(2,6-dimethylphenyl)-1,4,6,8,11,12-hexaaza- 5lambda^5,7lambda5-diphospha-dispiro[4.1.4.1]dodeca-2,9-diene
• Formula: C36 H40 N6 P2
• Calculated formula: C36 H40 N6 P2
• SMILES: C1=CN(P2(=NP3(=N2)N(C=CN3c2c(cccc2C)C)c2c(cccc2C)C)N1c1c(cccc1C)C)c1c(cccc1C)C
• 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: 8.3779 ± 0.0003 Å
• b: 17.0975 ± 0.0007 Å
• c: 11.4017 ± 0.0006 Å
• α: 90°
• β: 96.728 ± 0.002°
• γ: 90°
• Cell volume: 1621.95 ± 0.12 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0743
• Residual factor for significantly intense reflections: 0.0402
• Weighted residual factors for significantly intense reflections: 0.0816
• Weighted residual factors for all reflections included in the refinement: 0.0899
• Goodness-of-fit parameter for all reflections included in the refinement: 0.934
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No