Information card for entry 4001559

Structure parameters

• Formula: C46 H46 F9 La N2 O10
• Calculated formula: C46 H46 F9 La N2 O10
• SMILES: CCCC[NH+]=Cc1ccc(cc1O[La]123([O]=C(C=C(O2)c2ccccc2)C(F)(F)F)([O]=C(C=C(O1)c1ccccc1)C(F)(F)F)(Oc1cc(OC)ccc1C=[NH+]CCCC)OC(=[O]3)C(F)(F)F)OC
• Title of publication: Lanthanide-Containing Metallomesogens with Low Transition Temperatures
• Authors of publication: Yang, Yuetao; Driesen, Kris; Nockemann, Peter; Van Hecke, Kristof; Van Meervelt, Luc; Binnemans, Koen
• Journal of publication: Chemistry of Materials
• Year of publication: 2006
• Journal volume: 18
• Journal issue: 16
• Pages of publication: 3698
• a: 15.1196 ± 0.0011 Å
• b: 18.5236 ± 0.001 Å
• c: 20.6386 ± 0.0012 Å
• α: 70.89 ± 0.003°
• β: 80.255 ± 0.004°
• γ: 66.575 ± 0.004°
• Cell volume: 5006.5 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0911
• Residual factor for significantly intense reflections: 0.0627
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1684
• Goodness-of-fit parameter for all reflections included in the refinement: 0.923
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No