Information card for entry 7121024

Structure parameters

• Formula: C30 H30 Cl3 Ga N2 O2 P
• Calculated formula: C29 H37 Cl3 Ga N2 O2 P
• SMILES: [Ga]([O]=[P]1[N](=C2C(N(C(=O)C2(C)C)c2c(cc(cc2C)C)C)=C1C(C)(C)C)c1c(cc(cc1C)C)C)(Cl)(Cl)Cl
• Title of publication: An imine-gallium Lewis pair stabilized oxophosphinidene via an unexpected phosphirene rearrangement.
• Authors of publication: Liu, Liu Leo; Stephan, Douglas W.
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2018
• Journal volume: 54
• Journal issue: 9
• Pages of publication: 1041 - 1044
• a: 8.6585 ± 0.0004 Å
• b: 13.8981 ± 0.0006 Å
• c: 25.9555 ± 0.0011 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3123.4 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0575
• Residual factor for significantly intense reflections: 0.0414
• Weighted residual factors for significantly intense reflections: 0.0883
• Weighted residual factors for all reflections included in the refinement: 0.0944
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No