Information card for entry 7132534

Structure parameters

• Formula: C37 H31 Cl8 Ga N2 P2
• Calculated formula: C37 H31 Cl8 Ga N2 P2
• SMILES: [Ga](Cl)([Cl-])(Cl)Cl.P1(N(c2ccccc2)P(=[N+]1c1ccccc1)(c1ccccc1)c1ccccc1)(c1ccccc1)(c1ccccc1)Cl.ClC(Cl)Cl
• 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: 42.402 ± 0.004 Å
• b: 11.4012 ± 0.0012 Å
• c: 16.4543 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7954.6 ± 1.4 ų
• Cell temperature: 150.02 K
• Ambient diffraction temperature: 150.02 K
• Number of distinct elements: 6
• Space group number: 29
• Hermann-Mauguin space group symbol: P c a 21
• Hall space group symbol: P 2c -2ac
• Residual factor for all reflections: 0.1013
• Residual factor for significantly intense reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.1007
• Weighted residual factors for all reflections included in the refinement: 0.1155
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9821
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No