Information card for entry 7103789

Structure parameters

• Common name: [Ba(MesNPPh2CHPPh2NMes)2].1/2(toluene)
• Formula: C89.5 H90 Ba N4 P4
• Calculated formula: C89.5 H90 Ba N4 P4
• Title of publication: Bis(phosphinimino)methyl derivatives of Ca, Sr and Ba: facile access to heavier alkaline earth organometallic chemistry.
• Authors of publication: Michael Hill; Peter B. Hitchcock
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2003
• a: 13.0294 ± 0.0002 Å
• b: 13.3312 ± 0.0002 Å
• c: 25.5773 ± 0.0004 Å
• α: 100.566 ± 0.001°
• β: 92.303 ± 0.001°
• γ: 118.149 ± 0.001°
• Cell volume: 3809.47 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0803
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.0884
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No