Information card for entry 4307863

Structure parameters

• Common name: holmium(tris(3,5-dimethylpyrazolyl)methane) tris-(trifluoromethanesulfonate)
• Formula: C31 H46 F9 Ho N6 O12 S3
• Calculated formula: C31 H30 F9 Ho N6 O12 S3
• Title of publication: Synthesis and Solid-State Structures of Pyrazolylmethane Complexes of the Rare Earths
• Authors of publication: Andrea Sella; Sarah E. Brown; Jonathan W. Steed; Derek A. Tocher
• Journal of publication: Inorganic Chemistry
• Year of publication: 2007
• Journal volume: 46
• Pages of publication: 1856 - 1864
• a: 29.275 ± 0.0002 Å
• b: 19.657 ± 0.001 Å
• c: 19.8299 ± 0.0015 Å
• α: 90°
• β: 95.481 ± 0.003°
• γ: 90°
• Cell volume: 11359.1 ± 1 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 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: 0.1088
• Residual factor for significantly intense reflections: 0.0733
• Weighted residual factors for significantly intense reflections: 0.1798
• Weighted residual factors for all reflections included in the refinement: 0.2027
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No