Information card for entry 7024547

Structure parameters

• Formula: C20 H18 B2 Cu2 F8 N4 O2
• Calculated formula: C20 H18 B2 Cu2 F8 N4 O2
• SMILES: [B](F)(F)(F)[F-].c12c3cccc[n]3[Cu]34([n]2cccc1)[Cu]1([n]2c(c5cccc[n]15)cccc2)([OH]3)[OH]4.[B](F)(F)(F)[F-]
• Title of publication: High pressure studies of hydroxo-bridged Cu(II) dimers.
• Authors of publication: Prescimone, Alessandro; Sanchez-Benitez, Javier; Kamenev, Konstantin K.; Moggach, Stephen A.; Warren, John E.; Lennie, Alistair R.; Murrie, Mark; Parsons, Simon; Brechin, Euan K.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 1
• Pages of publication: 113 - 123
• a: 12.628 ± 0.002 Å
• b: 14.716 ± 0.003 Å
• c: 6.0524 ± 0.0006 Å
• α: 90°
• β: 113.837 ± 0.009°
• γ: 90°
• Cell volume: 1028.8 ± 0.3 ų
• Cell temperature: 300 K
• Ambient diffraction temperature: 300 K
• Ambient diffracton pressure: 2250000 kPa
• Number of distinct elements: 7
• Space group number: 12
• Hermann-Mauguin space group symbol: C 1 2/m 1
• Hall space group symbol: -C 2y
• Residual factor for all reflections: 0.0405
• Residual factor for significantly intense reflections: 0.033
• Weighted residual factors for all reflections: 0.0727
• Weighted residual factors for significantly intense reflections: 0.0673
• Weighted residual factors for all reflections included in the refinement: 0.0727
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0131
• Diffraction radiation wavelength: 0.4767 Å
• Diffraction radiation type: Synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No