Information card for entry 7132536

Structure parameters

• Formula: C44 H51 Cl4 Ga N2 O2 P2
• Calculated formula: C40 H41 Cl4 Ga N2 O P2
• SMILES: [P+](N(P(c1ccccc1)c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)Nc1ccccc1.[Ga]([Cl-])(Cl)(Cl)Cl.O(CC)CC
• Title of publication: Addition and NN bond cleavage of diazo-compounds by phosphino-phosphenium cations.
• Authors of publication: Kim, Hyehwang; Lough, Alan; Qu, Zheng-Wang; Grimme, Stefan; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2024
• Journal volume: 60
• Journal issue: 8
• Pages of publication: 1031 - 1034
• a: 11.2788 ± 0.001 Å
• b: 13.1565 ± 0.0012 Å
• c: 16.1265 ± 0.0015 Å
• α: 95.445 ± 0.006°
• β: 108.409 ± 0.005°
• γ: 91.577 ± 0.006°
• Cell volume: 2256.1 ± 0.4 ų
• Cell temperature: 149.98 K
• Ambient diffraction temperature: 149.98 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1215
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.185
• Weighted residual factors for all reflections included in the refinement: 0.2169
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0831
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No