Information card for entry 7115788

Structure parameters

• Formula: C15 H29 F15 Ga N4 Na P2
• Calculated formula: C15 H29 F15 Ga N4 Na P2
• SMILES: [Ga]12(F)(F)(F)[N]3(CC[N]2(CC[N]1(C)CC3)C)Cc1ccccc1.[P](F)(F)(F)(F)(F)[F-].[P](F)(F)(F)(F)(F)[F-].[Na+].[NH4+]
• 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: 31.23 ± 0.02 Å
• b: 10.037 ± 0.005 Å
• c: 18.142 ± 0.012 Å
• α: 90°
• β: 116.85 ± 0.02°
• γ: 90°
• Cell volume: 5074 ± 5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.2477
• Residual factor for significantly intense reflections: 0.1185
• Weighted residual factors for significantly intense reflections: 0.2736
• Weighted residual factors for all reflections included in the refinement: 0.3601
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No