Information card for entry 7115790

Structure parameters

• Formula: C30 H62 F18 Ga2 K2 N6 O6 P2
• Calculated formula: C30 H50 F18 Ga2 K2 N6 O6 P2
• SMILES: C1C[N]2(CC[N]3(CC[N]1(C)[Ga]23(F)(F)F)Cc1ccccc1)C.[P](F)(F)(F)(F)(F)[F-].[K+].O.O.O
• 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: 9.5708 ± 0.001 Å
• b: 10.2233 ± 0.001 Å
• c: 13.1728 ± 0.001 Å
• α: 95.498 ± 0.007°
• β: 91.765 ± 0.007°
• γ: 112.97 ± 0.008°
• Cell volume: 1178 ± 0.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0848
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1216
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No