Information card for entry 2232653

Structure parameters

• Chemical name: Bis[(1-vinyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)methanamine- κ<i>N</i>]copper(II) bis(hexafluoridophosphate)
• Formula: C12 H18 Cu F12 N6 P2
• Calculated formula: C12 H18 Cu F12 N6 P2
• SMILES: [P](F)(F)(F)(F)(F)[F-].[Cu]12([n]3c(C[NH2]1)n(cc3)C=C)[n]1c(C[NH2]2)n(cc1)C=C.[P](F)(F)(F)(F)(F)[F-]
• Title of publication: Bis[(1-vinyl-1<i>H</i>-imidazol-2-yl-κ<i>N</i>^3^)methanamine-κ<i>N</i>]copper(II) bis(hexafluoridophosphate)
• Authors of publication: Schiller, Alexander; Scopelliti, Rosario; Imhof, Wolfgang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 12
• Pages of publication: m1845
• a: 11.543 ± 0.002 Å
• b: 12.282 ± 0.002 Å
• c: 8.2793 ± 0.0014 Å
• α: 90°
• β: 96.476 ± 0.015°
• γ: 90°
• Cell volume: 1166.3 ± 0.3 ų
• Cell temperature: 140 ± 2 K
• Ambient diffraction temperature: 140 ± 2 K
• Number of distinct elements: 6
• 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: 0.0663
• Residual factor for significantly intense reflections: 0.0473
• Weighted residual factors for significantly intense reflections: 0.1146
• Weighted residual factors for all reflections included in the refinement: 0.1232
• Goodness-of-fit parameter for all reflections included in the refinement: 0.974
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes