Information card for entry 4077607

Structure parameters

• Formula: C27 H25 B F15 Ga N2
• Calculated formula: C27 H25 B F15 Ga N2
• SMILES: [Ga]1([N](CC[N]1(C)C)(C)C)(C)C.[B-](C)(c1c(c(c(c(c1F)F)F)F)F)(c1c(c(c(c(c1F)F)F)F)F)c1c(c(c(c(c1F)F)F)F)F
• Title of publication: Ligand Exchange and Alkyl Abstraction Involving (Perfluoroaryl)boranes and -alanes with Aluminum and Gallium Alkyls
• Authors of publication: Klosin, Jerzy; Roof, Gordon R.; Chen, Eugene Y.-X.; Abboud, Khalil A.
• Journal of publication: Organometallics
• Year of publication: 2000
• Journal volume: 19
• Journal issue: 23
• Pages of publication: 4684
• a: 9.7495 ± 0.0006 Å
• b: 10.9672 ± 0.0007 Å
• c: 14.6076 ± 0.0009 Å
• α: 85.155 ± 0.001°
• β: 87.556 ± 0.001°
• γ: 72.055 ± 0.001°
• Cell volume: 1480.39 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.052
• Residual factor for significantly intense reflections: 0.0394
• Weighted residual factors for significantly intense reflections: 0.104
• Weighted residual factors for all reflections included in the refinement: 0.1095
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No