Information card for entry 2005730

Structure parameters

• Formula: C12 H16 B2 Cu F8 N4
• Calculated formula: C12 H16 B2 Cu F8 N4
• SMILES: [B](F)(F)(F)[F-].c1c2[NH2][Cu]3([NH2]c2ccc1)[NH2]c1c(cccc1)[NH2]3.[B](F)(F)(F)[F-]
• Title of publication: Restricting Chelate Ring Flipping in Cu^II^ Complexes. I. Non-Thermochromic Bis(<i>o</i>-phenylenediamine-<i>N</i>,<i>N</i>')copper(II) Bis(tetrafluoroborate)
• Authors of publication: Narayanan, B.; Bhadbhade, M. M.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 12
• Pages of publication: 3049 - 3051
• a: 7.974 ± 0.002 Å
• b: 21.692 ± 0.004 Å
• c: 10.038 ± 0.007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1736.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0628
• Residual factor for significantly intense reflections: 0.0346
• Weighted residual factors for all reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.0925
• Goodness-of-fit parameter for all reflections: 0.991
• Goodness-of-fit parameter for significantly intense reflections: 1.168
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No