Information card for entry 7034801

Structure parameters

• Formula: C10 H14 Al F3 N2 O3
• Calculated formula: C10 H10 Al F3 N2 O3
• SMILES: [Al]1(F)(F)(F)([OH2])[n]2c(cccc2)c2[n]1cccc2.O.O
• 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: 8.976 ± 0.005 Å
• b: 7.3 ± 0.005 Å
• c: 19.062 ± 0.005 Å
• α: 90 ± 0.005°
• β: 93.331 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1246.9 ± 1.1 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: 0.1037
• Residual factor for significantly intense reflections: 0.0601
• Weighted residual factors for significantly intense reflections: 0.1436
• Weighted residual factors for all reflections included in the refinement: 0.1676
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No