Information card for entry 2226753

Structure parameters

• Chemical name: <i>trans</i>-Tetrakis(4-methylpyridine-κ<i>N</i>)dioxidorhenium(V) hexafluoridophosphate
• Formula: C24 H28 F6 N4 O2 P Re
• Calculated formula: C24 H28 F6 N4 O2 P Re
• SMILES: c1cc(cc[n]1[Re]([n]1ccc(cc1)C)(=O)([n]1ccc(cc1)C)([n]1ccc(cc1)C)=O)C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: <i>trans</i>-Tetrakis(4-methylpyridine-κ<i>N</i>)dioxidorhenium(V) hexafluoridophosphate
• Authors of publication: Kawasaki, Takeshi; Canlier, Ali; Chowdhury, Shubhamoy; Ikeda, Yasuhisa
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 7
• Pages of publication: m857 - m858
• a: 10.4914 ± 0.0004 Å
• b: 19.5359 ± 0.0008 Å
• c: 14.0923 ± 0.0005 Å
• α: 90°
• β: 109.581 ± 0.0011°
• γ: 90°
• Cell volume: 2721.31 ± 0.18 ų
• Cell temperature: 173 K
• Ambient diffraction temperature: 173 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0304
• Residual factor for significantly intense reflections: 0.0216
• Weighted residual factors for significantly intense reflections: 0.0417
• Weighted residual factors for all reflections included in the refinement: 0.044
• Goodness-of-fit parameter for all reflections included in the refinement: 1.16
• Diffraction radiation wavelength: 0.71075 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes