Information card for entry 7012108

Structure parameters

• Common name: Tl(hfa)xdiglyme
• Formula: C11 H15 F6 O5 Tl
• Calculated formula: C11 H15 F6 O5 Tl
• SMILES: C(=C([O-])C(F)(F)F)C(=O)C(F)(F)F.C(COC)OCCOC.[Tl+]
• Title of publication: Synthesis, crystal structure and mass transport properties of novel thallium ion precursors for MOCVD applications
• Authors of publication: Malandrino, Graziella; Borzì, Anna M.; Castelli, Francesco; Fragalà, Ignazio L.; Dastrù, Walter; Gobetto, Roberto; Rossi, Patrizia; Dapporto, Paolo
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 3
• Pages of publication: 369
• a: 8.389 ± 0.002 Å
• b: 10.537 ± 0.002 Å
• c: 18.202 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1609 ± 0.6 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n a m
• Hall space group symbol: -P 2c 2n
• Residual factor for all reflections: 0.0786
• Residual factor for significantly intense reflections: 0.0757
• Weighted residual factors for significantly intense reflections: 0.1771
• Weighted residual factors for all reflections included in the refinement: 0.1807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No