Information card for entry 4507133

Structure parameters

• Formula: C20 Cu F6 Hf N4 O2.5
• Calculated formula: C20 Cu F6 Hf N4 O2.5
• SMILES: [Hf](F)(F)(F)(F)([F-])[F-].[Cu]12([n]3c(c4[n]2cccc4)cccc3)([n]2c(c3[n]1cccc3)cccc2)[OH2].O.O
• Title of publication: From Racemic Units to Polar Materials
• Authors of publication: Gautier, Romain; Norquist, Alexander J.; Poeppelmeier, Kenneth R.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2012
• Journal volume: 12
• Journal issue: 12
• Pages of publication: 6267
• a: 20.542 ± 0.0008 Å
• b: 14.8692 ± 0.0005 Å
• c: 15.0844 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4607.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.0868
• Residual factor for significantly intense reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.1249
• Weighted residual factors for all reflections included in the refinement: 0.1399
• Goodness-of-fit parameter for all reflections included in the refinement: 1.09
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No