Information card for entry 8101875

Structure parameters

• Chemical name: bis(1,10-phenanthroline)copper(I) dichlorocuprate(I)
• Formula: C24 H16 Cl2 Cu2 N4
• Calculated formula: C24 H16 Cl2 Cu2 N4
• SMILES: [Cu]12([n]3cccc4ccc5ccc[n]1c5c34)[n]1cccc3ccc4ccc[n]2c4c13.[Cu](Cl)[Cl-]
• Title of publication: Crystal structure of bis(1,10-phenanthroline)copper(I) dichlorocuprate (I), [Cu(C~12~H~8~N~2~)~2~][CuCl~2~]
• Authors of publication: Wang, J.-G.; Kang, H.-X.; Zheng, X.-Y.
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2005
• Journal volume: 220
• Journal issue: 4
• Pages of publication: 597 - 598
• a: 19.709 ± 0.003 Å
• b: 14.83 ± 0.003 Å
• c: 15.208 ± 0.003 Å
• α: 90°
• β: 103.096 ± 0.002°
• γ: 90°
• Cell volume: 4329.5 ± 1.4 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 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: 0.0377
• Residual factor for significantly intense reflections: 0.0273
• Weighted residual factors for significantly intense reflections: 0.0828
• Weighted residual factors for all reflections included in the refinement: 0.0891
• Goodness-of-fit parameter for all reflections included in the refinement: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No