Information card for entry 7003566

Structure parameters

• Common name: 1,4,8,11-Tetramesityl-1,4,6,8,11,12-hexaaza-5lambda5,7lambda5- diphospha-dispiro(4.1.4.1)-dodeca-2,9-diene
• Chemical name: 1,4,8,11-Tetramesityl-1,4,6,8,11,12-hexaaza-5lambda5,7lambda5- diphospha-dispiro[4.1.4.1]-dodeca-2,9-diene
• Formula: C46 H54 N6 P2
• Calculated formula: C46 H54 N6 P2
• SMILES: C1=CN(P2(=NP3(=N2)N(C=CN3c2c(cc(cc2C)C)C)c2c(cc(cc2C)C)C)N1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C.c1ccccc1
• 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: 22.6662 ± 0.0008 Å
• b: 14.4954 ± 0.0005 Å
• c: 12.2951 ± 0.0004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4039.6 ± 0.2 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 64
• Hermann-Mauguin space group symbol: C m c a
• Hall space group symbol: -C 2ac 2
• Residual factor for all reflections: 0.0659
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for significantly intense reflections: 0.0899
• Weighted residual factors for all reflections included in the refinement: 0.0977
• Goodness-of-fit parameter for all reflections included in the refinement: 0.991
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No