Information card for entry 7111533

Structure parameters

• Chemical name: trifluorido(1,4,7-trimethyl-1,4,7-triazacyclononane)silicon(IV) chloride
• Formula: C9 H21 Cl F3 N3 Si
• Calculated formula: C9 H21 Cl F3 N3 Si
• SMILES: C[N]12CC[N]3([Si]1(F)(F)(F)[N](C)(CC2)CC3)C.[Cl-]
• Title of publication: Preparation and structure of the unique silicon(iv) cation [SiF3(Me3tacn)]+
• Authors of publication: Cheng, Fei; Hector, Andrew L.; Levason, William; Reid, Gillian; Webster, Michael; Zhang, Wenjian
• Journal of publication: Chemical Communications
• Year of publication: 2009
• Journal issue: 11
• Pages of publication: 1334 - 1336
• a: 8.779 ± 0.002 Å
• b: 8.779 ± 0.002 Å
• c: 29.255 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 1952.6 ± 0.6 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 161
• Hermann-Mauguin space group symbol: R 3 c :H
• Hall space group symbol: R 3 -2"c
• Residual factor for all reflections: 0.0649
• Residual factor for significantly intense reflections: 0.0594
• Weighted residual factors for significantly intense reflections: 0.1506
• Weighted residual factors for all reflections included in the refinement: 0.1555
• 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