Information card for entry 2232911

Structure parameters

• Chemical name: Di-μ-hydroxido-bis[tris(4,4,4-trifluoro-1-phenylacetylacetonato- κ^2^<i>O</i>,<i>O</i>')hafnium(IV)] dimethylformamide disolvate
• Formula: C66 H52 F18 Hf2 N2 O16
• Calculated formula: C66 H52 F18 Hf2 N2 O16
• SMILES: C(C1=[O][Hf]234(OC(=C1)c1ccccc1)([O]=C(C(F)(F)F)C=C(O2)c1ccccc1)([O]=C(C(F)(F)F)C=C(O3)c1ccccc1)[OH][Hf]123([O]=C(C(F)(F)F)C=C(c5ccccc5)O1)([O]=C(C(F)(F)F)C=C(O2)c1ccccc1)([O]=C(C(F)(F)F)C=C(O3)c1ccccc1)[OH]4)(F)(F)F.N(C=O)(C)C.N(C=O)(C)C
• Title of publication: Di-μ-hydroxido-bis[tris(4,4,4-trifluoro-1-phenylacetylacetonato-κ^2^<i>O</i>,<i>O</i>')hafnium(IV)] dimethylformamide disolvate
• Authors of publication: Viljoen, J. Augustinus; Visser, Hendrik G.; Roodt, Andreas
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1822 - m1823
• a: 12.4143 ± 0.0003 Å
• b: 19.244 ± 0.005 Å
• c: 17.503 ± 0.005 Å
• α: 90°
• β: 122.937 ± 0.005°
• γ: 90°
• Cell volume: 3509.4 ± 1.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0468
• Residual factor for significantly intense reflections: 0.0304
• Weighted residual factors for all reflections included in the refinement: 0.072
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes