Information card for entry 7115789

Structure parameters

• Formula: C15 H25 B F7 Ga N3 Na
• Calculated formula: C15 H25 B F7 Ga N3 Na
• SMILES: [Ga]12(F)(F)(F)[N]3(CC[N]1(CC[N]2(CC3)Cc1ccccc1)C)C.[Na+].[B](F)(F)(F)[F-]
• Title of publication: [GaF3(BzMe2-tacn)] - a neutral 'metalloligand' towards alkali metal and ammonium cations in water
• Authors of publication: Rajiv Bhalla; William Levason; Sajinder K. Luthra; Graeme McRobbie; Gillian Reid; George Sanderson; Wenjian Zhang
• Journal of publication: Chem.Commun.
• Year of publication: 2014
• Journal volume: 50
• Pages of publication: 12673
• a: 10.967 ± 0.002 Å
• b: 15.793 ± 0.003 Å
• c: 22.313 ± 0.003 Å
• α: 90°
• β: 90.057 ± 0.006°
• γ: 90°
• Cell volume: 3864.7 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0524
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.0983
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No