Information card for entry 2230668

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3- diamine}bromidocopper(II) tetrafluoridoborate
• Formula: C17 H20 B Br Cu F4 N4
• Calculated formula: C17 H20 B Br Cu F4 N4
• SMILES: [Cu]123(Br)[n]4c(cccc4)C(=[N]1CCC[N]2=C(C)c1[n]3cccc1)C.[B](F)(F)(F)[F-]
• Title of publication: {<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3-diamine}bromidocopper(II) tetrafluoridoborate
• Authors of publication: Liu, Li-Jun
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 7
• Pages of publication: m878
• a: 8.2508 ± 0.0017 Å
• b: 8.9511 ± 0.0018 Å
• c: 13.158 ± 0.003 Å
• α: 92.391 ± 0.002°
• β: 94.847 ± 0.002°
• γ: 96.422 ± 0.002°
• Cell volume: 960.9 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0602
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for significantly intense reflections: 0.079
• Weighted residual factors for all reflections included in the refinement: 0.0865
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes