Information card for entry 7013463

Structure parameters

• Formula: C42 H30 F6 N6 O10 S2 Zn
• Calculated formula: C42 H30 F6 N6 O10 S2 Zn
• SMILES: [Zn]12(OS(=O)(=O)C(F)(F)F)(OS(=O)(=O)C(F)(F)F)([n]3ccccc3C=[N]1CCN1C(=O)c3c4c(C1=O)cccc4ccc3)[n]1ccccc1C=[N]2CCN1C(=O)c2c3c(C1=O)cccc3ccc2
• Title of publication: Excimer emission induced by metal ion coordination in 1,8-naphthalimide-tethered iminopyridine ligands
• Authors of publication: Licchelli, Maurizio; Biroli, Alessio Orbelli; Poggi, Antonio; Sacchi, Donatella; Sangermani, Corrado; Zema, Michele
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 23
• Pages of publication: 4537
• a: 9.357 ± 0.004 Å
• b: 14.954 ± 0.005 Å
• c: 16.129 ± 0.003 Å
• α: 77.93 ± 0.02°
• β: 84.33 ± 0.03°
• γ: 79.44 ± 0.03°
• Cell volume: 2165.3 ± 1.3 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.3634
• Residual factor for significantly intense reflections: 0.0882
• Weighted residual factors for significantly intense reflections: 0.1817
• Weighted residual factors for all reflections included in the refinement: 0.2741
• Goodness-of-fit parameter for all reflections included in the refinement: 0.913
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No