Information card for entry 2234021

Structure parameters

• Chemical name: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(phthalocyaninato- κ^4^<i>N</i>)(phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)
• Formula: C49 H31 Er N10 O2
• Calculated formula: C49 H31 Er N10 O2
• SMILES: c1c2c3[n]4[Er]5678(n9c(=N3)c3c(c9=Nc9[n]5c(=Nc5n6c(c6ccccc56)N=c4c2ccc1)c1c9cccc1)cccc3)([n]1c2c3[n]7cccc3ccc2ccc1)OC(=CC(=[O]8)C)C
• Title of publication: (Acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(phthalocyaninato-κ^4^<i>N</i>)(phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)
• Authors of publication: Li, Hong-Feng; Yan, Peng-Fei
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 3
• Pages of publication: m251
• a: 9.913 ± 0.002 Å
• b: 16.887 ± 0.003 Å
• c: 12.622 ± 0.003 Å
• α: 90°
• β: 106.72 ± 0.03°
• γ: 90°
• Cell volume: 2023.6 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.0555
• Residual factor for significantly intense reflections: 0.0333
• Weighted residual factors for significantly intense reflections: 0.0672
• Weighted residual factors for all reflections included in the refinement: 0.0921
• Goodness-of-fit parameter for all reflections included in the refinement: 1.133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes