Information card for entry 2005140

Structure parameters

• Chemical name: Dicyanamidebis(1,10-phenanthroline)copper(II) Tricyanomethanide.
• Formula: C30 H16 Cu N10
• Calculated formula: C30 H16 Cu N10
• SMILES: [Cu]12(N=C=NC#N)([n]3c4c(ccc3)ccc3c4[n]1ccc3)[n]1c3c(ccc1)ccc1c3[n]2ccc1.C(C#N)(C#N)=C=[N-]
• Title of publication: (Dicyanamido)bis(1,10-phenanthroline)copper(II) Tricyanomethanide
• Authors of publication: Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Jäger, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 7
• Pages of publication: 1653 - 1655
• a: 10.08 ± 0.007 Å
• b: 12.972 ± 0.007 Å
• c: 19.874 ± 0.013 Å
• α: 90°
• β: 100.22 ± 0.06°
• γ: 90°
• Cell volume: 2557 ± 3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.1095
• Residual factor for significantly intense reflections: 0.0487
• Weighted residual factors for all reflections: 0.1284
• Weighted residual factors for significantly intense reflections: 0.1013
• Goodness-of-fit parameter for all reflections: 1.022
• Goodness-of-fit parameter for significantly intense reflections: 1.145
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No