Information card for entry 7203055

Structure parameters

• Formula: C96 H106 Er2 N4 O12
• Calculated formula: C96 H106 Er2 N4 O12
• SMILES: c1ccc2ccc3ccc[n]4c3c2[n]1[Er]12354([O]=C(O1)c1ccc(cc1)CCCCC)[O]=C(O[Er]14([n]6cccc7ccc8ccc[n]1c8c67)([O]=C(O4)c1ccc(cc1)CCCCC)([O]=C(O3)c1ccc(cc1)CCCCC)(OC(=[O]2)c1ccc(cc1)CCCCC)[O]=C(O5)c1ccc(cc1)CCCCC)c1ccc(cc1)CCCCC
• Title of publication: Solution-processable erbium‒ytterbium complex for potential planar optical amplifier application
• Authors of publication: Song, Limei; Liu, Xinhou; Zhen, Zhen; Chen, Cong; Zhang, Daming
• Journal of publication: Journal of Materials Chemistry
• Year of publication: 2007
• Journal volume: 17
• Journal issue: 43
• Pages of publication: 4586
• a: 22.3238 ± 0.0011 Å
• b: 10.0035 ± 0.0005 Å
• c: 38.1841 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8527.1 ± 0.7 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0572
• Residual factor for significantly intense reflections: 0.0509
• Weighted residual factors for significantly intense reflections: 0.0826
• Weighted residual factors for all reflections included in the refinement: 0.0845
• Goodness-of-fit parameter for all reflections included in the refinement: 1.282
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No