Information card for entry 7034806

Structure parameters

• Formula: C12 H10 F3 Ga N2 O
• Calculated formula: C12 H10 F3 Ga N2 O
• SMILES: c1ccc2c3c4c(cc2)ccc[n]4[Ga](F)(F)(F)([OH2])[n]13
• Title of publication: Hydrothermal synthesis of Group 13 metal trifluoride complexes with neutral N-donor ligands.
• Authors of publication: Bhalla, Rajiv; Levason, William; Luthra, Sajinder K.; McRobbie, Graeme; Monzittu, Francesco M.; Palmer, Jazmyn; Reid, Gillian; Sanderson, George; Zhang, Wenjian
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 20
• Pages of publication: 9569 - 9580
• a: 8.3906 ± 0.0005 Å
• b: 7.194 ± 0.0005 Å
• c: 19.0124 ± 0.0013 Å
• α: 90°
• β: 100.631 ± 0.003°
• γ: 90°
• Cell volume: 1127.93 ± 0.13 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• 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: 0.0284
• Residual factor for significantly intense reflections: 0.0247
• Weighted residual factors for significantly intense reflections: 0.0637
• Weighted residual factors for all reflections included in the refinement: 0.0658
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No