Information card for entry 7120317

Structure parameters

• Formula: C37 H62 Cl Ga2 N2 P
• Calculated formula: C37 H62 Cl Ga2 N2 P
• SMILES: [Ga]1([Cl][Ga]([P]1=C1N(c2c(cc(cc2C)C)C)CCN1c1c(C)cc(cc1C)C)(C(C)(C)C)C(C)(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: 9.7012 ± 0.0006 Å
• b: 9.8809 ± 0.0004 Å
• c: 23.0792 ± 0.0012 Å
• α: 84.726 ± 0.002°
• β: 83.754 ± 0.002°
• γ: 61.541 ± 0.002°
• Cell volume: 1931.38 ± 0.18 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0498
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for significantly intense reflections: 0.0569
• Weighted residual factors for all reflections included in the refinement: 0.0608
• Goodness-of-fit parameter for all reflections included in the refinement: 1.028
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No