Information card for entry 4063234

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
• SMILES: [Ba]12([N](=P(C=P(N1c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C)[N](=P(C=P(N2c1c(cc(cc1C)C)C)(c1ccccc1)c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cc(cc1C)C)C.c1(ccccc1)C
• Title of publication: Synthesis and M-Cγ Hemilability of Group 2 Bis(phosphinimino)methanides
• Authors of publication: Shabana A. Ahmed; Michael S. Hill; Peter B. Hitchcock
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 2
• Pages of publication: 394 - 402
• 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