Information card for entry 2232646

Structure parameters

• Chemical name: 1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazol-1-ium tetraoxidorhenate(VII)
• Formula: C21 H25 N2 O4 Re
• Calculated formula: C21 H25 N2 O4 Re
• SMILES: c1n(cc[n+]1c1c(cc(cc1C)C)C)c1c(cc(C)cc1C)C.O=[Re](=O)(=O)[O-]
• Title of publication: 1,3-Bis(2,4,6-trimethylphenyl)-3<i>H</i>-imidazol-1-ium tetraoxidorhenate(VII)
• Authors of publication: Landman, Marilé; van der Westhuizen, Belinda; Bezuidenhout, Daniela I.; Liles, David C.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1897
• a: 8.2989 ± 0.0012 Å
• b: 16.373 ± 0.002 Å
• c: 8.3168 ± 0.0012 Å
• α: 90°
• β: 111.948 ± 0.002°
• γ: 90°
• Cell volume: 1048.2 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0362
• Residual factor for significantly intense reflections: 0.0331
• Weighted residual factors for significantly intense reflections: 0.0813
• Weighted residual factors for all reflections included in the refinement: 0.0829
• Goodness-of-fit parameter for all reflections included in the refinement: 1.134
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes