Information card for entry 4072108

Structure parameters

• Chemical name: Diphenyl 1,5,7-triazabicyclo[4.4.0]dec-5-ene phosphine nickel dibromide
• Formula: C19.5 H22 Br2 Cl D N3 Ni P
• Calculated formula: C19.5 H22 Br2 Cl D N3 Ni P
• Title of publication: RigidN-Phosphino Guanidine P,N Ligands and Their Use in Nickel-Catalyzed Ethylene Oligomerization
• Authors of publication: Dyer, Philip W.; Fawcett, John; Hanton, Martin J.
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 19
• Pages of publication: 5082
• a: 24.4597 ± 0.0015 Å
• b: 13.0822 ± 0.0008 Å
• c: 17.0457 ± 0.0011 Å
• α: 90°
• β: 127.244 ± 0.001°
• γ: 90°
• Cell volume: 4342.1 ± 0.5 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0396
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for significantly intense reflections: 0.0986
• Weighted residual factors for all reflections included in the refinement: 0.1002
• Goodness-of-fit parameter for all reflections included in the refinement: 1.067
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No