Information card for entry 4064372

Structure parameters

• Chemical name: 1,3-Bis(2',6'-dimethylphenyl)-4,5-dimethyl-2-diphenylphosphino- [1,3,2]diazaphospholene
• Formula: C32 H34 N2 P2
• Calculated formula: C32 H34 N2 P2
• SMILES: p1(n(c(c(n1c1c(cccc1C)C)C)C)c1c(cccc1C)C)P(c1ccccc1)c1ccccc1
• Title of publication: Synthesis and Characterization of an Unsymmetrical 1,2-Diphosphinoethanide Complex
• Authors of publication: Förster, Daniela; Nieger, Martin; Gudat, Dietrich
• Journal of publication: Organometallics
• Year of publication: 2011
• Journal volume: 30
• Journal issue: 9
• Pages of publication: 2628
• a: 8.051 ± 0.002 Å
• b: 12.213 ± 0.003 Å
• c: 14.472 ± 0.001 Å
• α: 84.28 ± 0.02°
• β: 80.99 ± 0.02°
• γ: 78.72 ± 0.02°
• Cell volume: 1374.8 ± 0.5 ų
• Cell temperature: 123 ± 2 K
• Ambient diffraction temperature: 123 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0511
• Residual factor for significantly intense reflections: 0.0367
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0933
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No