Information card for entry 4001081

Structure parameters

• Formula: C46 H36 Eu F9 N4 O9 S3
• Calculated formula: C45.774 H36 Eu F9 N4 O9 S3
• SMILES: FC(C1=CC(=[O][Eu]234(O1)(OC(=CC(=[O]3)C(F)(F)F)c1cccs1)([O]=C(C=C(O2)C(F)(F)F)c1cccs1)n1cccc2c1c1n4cccc1c1c2nc([nH]1)c1ccccc1)c1cccs1)(F)F.CO.CO.CO
• Title of publication: Imidazo[4,5-f]-1,10-phenanthrolines: Versatile Ligands for the Design of Metallomesogens
• Authors of publication: Cardinaels, Thomas; Ramaekers, Jan; Nockemann, Peter; Driesen, Kris; Van Hecke, Kristof; Van Meervelt, Luc; Lei, Shengbin; De Feyter, Steven; Guillon, Daniel; Donnio, Bertrand; Binnemans, Koen
• Journal of publication: Chemistry of Materials
• Year of publication: 2008
• Journal volume: 20
• Journal issue: 4
• Pages of publication: 1278
• a: 10.8917 ± 0.0008 Å
• b: 15.677 ± 0.0011 Å
• c: 15.9877 ± 0.0008 Å
• α: 117.819 ± 0.003°
• β: 97.656 ± 0.004°
• γ: 93.066 ± 0.005°
• Cell volume: 2371.9 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 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: 0.0674
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for significantly intense reflections: 0.1403
• Weighted residual factors for all reflections included in the refinement: 0.1454
• Goodness-of-fit parameter for all reflections included in the refinement: 0.975
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No