Information card for entry 2019211

Structure parameters

• Chemical name: (Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) tetrafluoroborate
• Formula: C26 H24 B Cu F4 N7
• Calculated formula: C26 H24 B Cu F4 N7
• SMILES: [Cu]12([n]3c(ccc(c3)C)c3[n]1cc(cc3)C)([n]1c(ccc(c1)C)c1[n]2cc(cc1)C)N=C=NC#N.[B](F)(F)(F)[F-]
• Title of publication: Low-dimensional compounds containing cyanide groups. XXVI. (Dicyanamido-κ<i>N</i>^1^)bis(5,5'-dimethyl-2,2'-bipyridine-κ^2^<i>N</i>,<i>N</i>')copper(II) complexes with tetrafluoroborate and perchlorate anions
• Authors of publication: Potočňák, Ivan; Burčák, Milan; Dušek, Michal
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2013
• Journal volume: 69
• Journal issue: 11
• Pages of publication: 1357 - 1361
• a: 13.6714 ± 0.0008 Å
• b: 17.0453 ± 0.0017 Å
• c: 11.2195 ± 0.0011 Å
• α: 90°
• β: 93.361 ± 0.007°
• γ: 90°
• Cell volume: 2610 ± 0.4 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 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: 0.0714
• Residual factor for significantly intense reflections: 0.0445
• Weighted residual factors for significantly intense reflections: 0.1122
• Weighted residual factors for all reflections included in the refinement: 0.1236
• Goodness-of-fit parameter for all reflections included in the refinement: 0.988
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No