Information card for entry 2016564

Structure parameters

• Chemical name: (Dicyanamido-κN')bis(1,10-phenanthroline-κ^2^N,N')copper(II) tetrafluoridoborate
• Formula: C26 H16 B Cu F4 N7
• Calculated formula: C26 H16 B Cu F4 N7
• SMILES: [Cu]12(N=C=NC#N)([n]3c4c(ccc3)ccc3c4[n]1ccc3)[n]1c3c(ccc1)ccc1c3[n]2ccc1.[B](F)(F)(F)[F-]
• Title of publication: Low-dimensional compounds containing cyano groups. XVI. (Dicyanamido-κ<i>N</i>^1^)bis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrafluoridoborate
• Authors of publication: Potočňák, Ivan; Špilovský, Martin; Trávníček, Zdeněk
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2008
• Journal volume: 64
• Journal issue: 4
• Pages of publication: m161 - m163
• a: 8.0601 ± 0.0008 Å
• b: 9.2246 ± 0.0009 Å
• c: 16.4286 ± 0.0015 Å
• α: 92.344 ± 0.007°
• β: 96.656 ± 0.008°
• γ: 103.097 ± 0.008°
• Cell volume: 1178.8 ± 0.2 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.048
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for significantly intense reflections: 0.1113
• Weighted residual factors for all reflections included in the refinement: 0.1192
• Goodness-of-fit parameter for all reflections included in the refinement: 1.001
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes