Information card for entry 2241378

Structure parameters

• Chemical name: Aquabis(heptafluorobutanoato-κ<i>O</i>)(1,10'-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Formula: C20 H10 Cu F14 N2 O5
• Calculated formula: C20 H10 Cu F14 N2 O5
• Title of publication: Crystal structure of aquabis(heptafluorobutanoato-κ<i>O</i>)(1,10'-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II)
• Authors of publication: Kani, Ibrahim
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2016
• Journal volume: 72
• Journal issue: 1
• Pages of publication: 4 - 7
• a: 18.0213 ± 0.0005 Å
• b: 19.4619 ± 0.0006 Å
• c: 13.8664 ± 0.0004 Å
• α: 90°
• β: 102.205 ± 0.001°
• γ: 90°
• Cell volume: 4753.4 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• 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: 0.0759
• Residual factor for significantly intense reflections: 0.0558
• Weighted residual factors for significantly intense reflections: 0.1405
• Weighted residual factors for all reflections included in the refinement: 0.1562
• Goodness-of-fit parameter for all reflections included in the refinement: 0.947
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes