Information card for entry 2226173

Structure parameters

• Chemical name: Bis(4,7-dichloro-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(dicyanamido- κ<i>N</i>)copper(II)
• Formula: C28 H12 Cl4 Cu N10
• Calculated formula: C28 H12 Cl4 Cu N10
• SMILES: [Cu]12([n]3c4c(c(Cl)cc3)ccc3c4[n]1ccc3Cl)([n]1c3c(c(Cl)cc1)ccc1c3[n]2ccc1Cl)(N=C=NC#N)N=C=NC#N
• Title of publication: Bis(4,7-dichloro-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(dicyanamido-κ<i>N</i>)copper(II)
• Authors of publication: Potočňák, Ivan; Pravcová, Zuzana; Trávníček, Zdeněk
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 6
• Pages of publication: m719 - m720
• a: 9.5484 ± 0.0002 Å
• b: 16.6471 ± 0.0003 Å
• c: 17.4906 ± 0.0003 Å
• α: 90°
• β: 97.316 ± 0.002°
• γ: 90°
• Cell volume: 2757.55 ± 0.09 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 5
• 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: 0.0392
• Residual factor for significantly intense reflections: 0.0308
• Weighted residual factors for significantly intense reflections: 0.0785
• Weighted residual factors for all reflections included in the refinement: 0.0816
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes