Information card for entry 7034802

Structure parameters

• Chemical name: Gallium trifluoride terpyridine trihydrate
• Formula: C15 H17 Al F3 N3 O3
• Calculated formula: C15 H17 Al F3 N3 O3
• SMILES: [Al]12(F)(F)(F)[n]3c(c4[n]1c(c1[n]2cccc1)ccc4)cccc3.O.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: 9.4806 ± 0.0009 Å
• b: 25.104 ± 0.002 Å
• c: 7.0846 ± 0.0006 Å
• α: 90°
• β: 104.425 ± 0.007°
• γ: 90°
• Cell volume: 1633 ± 0.3 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/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.1326
• Residual factor for significantly intense reflections: 0.0713
• Weighted residual factors for significantly intense reflections: 0.1456
• Weighted residual factors for all reflections included in the refinement: 0.1718
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No