Information card for entry 2227747

Structure parameters

• Chemical name: Bromidobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dicyanamidate
• Formula: C26 H16 Br Cu N7
• Calculated formula: C26 H16 Br Cu N7
• SMILES: C(#N)[N-]C#N.Br[Cu]12([n]3c4c(ccc3)ccc3c4[n]1ccc3)[n]1c3c(ccc1)ccc1c3[n]2ccc1
• Title of publication: Bromidobis(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')copper(II) dicyanamidate
• Authors of publication: Potočňák, Ivan; Pravcová, Zuzana; Rak, Dmytro
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 10
• Pages of publication: m1325 - m1326
• a: 15.2317 ± 0.0004 Å
• b: 10.827 ± 0.0003 Å
• c: 14.7408 ± 0.0005 Å
• α: 90°
• β: 114.03 ± 0.004°
• γ: 90°
• Cell volume: 2220.27 ± 0.13 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0278
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0604
• Weighted residual factors for all reflections included in the refinement: 0.0617
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes