Information card for entry 4068654

Structure parameters

• Chemical name: 1,3-Di-mesity-2-(2',3',4',5'-tetraethylphospholyl)-tetrahydro- 1,3,2-diazaphosphole
• Formula: C32 H46 N2 P2
• Calculated formula: C32 H46 N2 P2
• SMILES: P1(N(CCN1c1c(cc(cc1C)C)C)c1c(cc(cc1C)C)C)p1c(c(c(c1CC)CC)CC)CC
• Title of publication: Cleavage of Polarized P−P Bonds in N-Heterocyclic Diphosphines in Reactions with Metal Olefin Complexes
• Authors of publication: Burck, Sebastian; Gudat, Dietrich; Nieger, Martin
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 5
• Pages of publication: 1447
• a: 9.7825 ± 0.0002 Å
• b: 22.4622 ± 0.0004 Å
• c: 13.7718 ± 0.0003 Å
• α: 90°
• β: 90.014 ± 0.002°
• γ: 90°
• Cell volume: 3026.17 ± 0.11 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: 0.0602
• Residual factor for significantly intense reflections: 0.0395
• Weighted residual factors for significantly intense reflections: 0.0999
• Weighted residual factors for all reflections included in the refinement: 0.1067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No