Information card for entry 7120322

Structure parameters

• Formula: C58 H88 Ga2 N4 P2
• Calculated formula: C58 H88 Ga2 N4 P2
• SMILES: [Ga]1([P]([Ga]([P]1=C1N(c2c(C)cc(cc2C)C)CCN1c1c(C)cc(cc1C)C)(C(C)(C)C)C(C)(C)C)=C1N(c2c(cc(cc2C)C)C)CCN1c1c(cc(cc1C)C)C)(C(C)(C)C)C(C)(C)C
• Title of publication: An NHC‒phosphinidenyl as a synthon for new group 13/15 compounds
• Authors of publication: Lemp, Otfried; Balmer, Markus; Reiter, Kevin; Weigend, Florian; von Hänisch, Carsten
• Journal of publication: Chem. Commun.
• Year of publication: 2017
• a: 11.86 ± 0.0006 Å
• b: 12.9739 ± 0.0007 Å
• c: 22.3682 ± 0.0012 Å
• α: 100.545 ± 0.002°
• β: 101.098 ± 0.002°
• γ: 106.378 ± 0.002°
• Cell volume: 3135.8 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 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: 0.072
• Residual factor for significantly intense reflections: 0.0434
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.0981
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No