Information card for entry 2003360

Structure parameters

• Chemical name: Bis(1,10-phenanthroline)bis(dicyanamide)copper(II)
• Formula: C28 H16 Cu N10
• Calculated formula: C28 H16 Cu N10
• SMILES: [Cu]12([n]3c4c(ccc3)ccc3c4[n]1ccc3)([n]1c3c(ccc1)ccc1c3[n]2ccc1)(N=C=NC#N)N=C=NC#N
• Title of publication: Bis(dicyanamide)bis(1,10-phenanthroline)copper(II)
• Authors of publication: Potočňák, I.; Dunaj-Jurčo, M.; Mikloš, D.; Kabešová, M.; Jäger, L.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1995
• Journal volume: 51
• Journal issue: 4
• Pages of publication: 600 - 602
• a: 8.756 ± 0.004 Å
• b: 14.611 ± 0.006 Å
• c: 18.979 ± 0.008 Å
• α: 90°
• β: 101.21 ± 0.04°
• γ: 90°
• Cell volume: 2381.7 ± 1.8 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1193
• Residual factor for significantly intense reflections: 0.0405
• Weighted residual factors for all reflections: 0.1177
• Weighted residual factors for significantly intense reflections: 0.0933
• Goodness-of-fit parameter for all reflections: 0.686
• Goodness-of-fit parameter for significantly intense reflections: 0.79
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No