Information card for entry 7009191

Structure parameters

• Formula: C56 H48 Cl Cu N4 O4
• Calculated formula: C56 H48 Cl Cu N4 O4
• SMILES: [Cu]12([N](CC[N]1=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1)[N](CC[N]2=C(c1ccccc1)c1ccccc1)=C(c1ccccc1)c1ccccc1.Cl(=O)(=O)(=O)[O-]
• Title of publication: New photoluminescent CuIN4 chromophores. Stabilisation of copper(I) by unconjugated diimines
• Authors of publication: Chowdhury, Shubhamoy; Patra, Goutam K.; Drew, Michael G. B.; Chattopadhyay, Nitin; Datta, Dipankar
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 3
• Pages of publication: 235
• a: 15.446 ± 0.017 Å
• b: 13.27 ± 0.015 Å
• c: 23.7 ± 0.03 Å
• α: 90°
• β: 91.579 ± 0.01°
• γ: 90°
• Cell volume: 4856 ± 10 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• 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: 0.154
• Residual factor for significantly intense reflections: 0.0837
• Weighted residual factors for significantly intense reflections: 0.1515
• Weighted residual factors for all reflections included in the refinement: 0.1733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.119
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No