Information card for entry 2230667

Structure parameters

• Chemical name: {<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3- diamine}thiocyanatocopper(II) tetrafluoridoborate
• Formula: C18 H20 B Cu F4 N5 S
• Calculated formula: C18 H20 B Cu F4 N5 S
• Title of publication: {<i>N</i>,<i>N</i>'-Bis[1-(pyridin-2-yl)ethylidene]propane-1,3-diamine}(thiocyanato-κ<i>N</i>)copper(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: m876 - m877
• a: 9.5057 ± 0.0007 Å
• b: 13.7527 ± 0.0011 Å
• c: 16.1902 ± 0.0013 Å
• α: 90°
• β: 101.2 ± 0.001°
• γ: 90°
• Cell volume: 2076.2 ± 0.3 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0706
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.1073
• Goodness-of-fit parameter for all reflections included in the refinement: 1.025
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes