Information card for entry 2234828

Structure parameters

• Chemical name: 5,6-Dihydro-1,10-phenanthroline-1,10-diium μ-oxido-bis[pentafluoridotantalate(V)]
• Formula: C12 H12 F10 N2 O Ta2
• Calculated formula: C12 H12 F10 N2 O Ta2
• SMILES: c12ccc[nH+]c1c1c(ccc[nH+]1)CC2.F[Ta](F)(F)(F)(F)O[Ta](F)(F)(F)(F)F
• Title of publication: 5,6-Dihydro-1,10-phenanthroline-1,10-diium μ-oxido-bis[pentafluoridotantalate(V)]
• Authors of publication: Meng, Zhao-Hui; Feng, Yu-Quan; Chen, Xin-Feng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 5
• Pages of publication: m561
• a: 13.536 ± 0.002 Å
• b: 11.3031 ± 0.0017 Å
• c: 11.5316 ± 0.0017 Å
• α: 90°
• β: 90.093 ± 0.002°
• γ: 90°
• Cell volume: 1764.3 ± 0.5 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.0317
• Residual factor for significantly intense reflections: 0.0284
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0723
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes