Information card for entry 4082333

Structure parameters

• Formula: C27 H36 F3 Ga N2
• Calculated formula: C27 H36 F3 Ga N2
• SMILES: C(C)(C)c1c(c(C(C)C)ccc1)N1C(N(C=C1)c1c(C(C)C)cccc1C(C)C)=[Ga](F)(F)F
• Title of publication: Structure, Stability, and Catalytic Activity of Fluorine-Bridged Complexes IPr·GaCl2(μ-F)EFn‒1(EFn‒= SbF6‒, PF6‒, or BF4‒)
• Authors of publication: Bour, Christophe; Monot, Julien; Tang, Shun; Guillot, Régis; Farjon, Jonathan; Gandon, Vincent
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 2
• Pages of publication: 594
• a: 10.2109 ± 0.0003 Å
• b: 18.4364 ± 0.0004 Å
• c: 14.6671 ± 0.0004 Å
• α: 90°
• β: 104.16 ± 0.001°
• γ: 90°
• Cell volume: 2677.22 ± 0.12 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 1 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0401
• Weighted residual factors for significantly intense reflections: 0.1012
• Weighted residual factors for all reflections included in the refinement: 0.1119
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No