Information card for entry 7228749

Structure parameters

• Formula: C63 H48 Er O7 P
• Calculated formula: C63 H48 Er O7 P
• SMILES: [Er]123([O]=C(c4ccccc4)C=C(O1)c1ccccc1)([O]=C(c1ccccc1)C=C(O3)c1ccccc1)([O]=P(c1ccccc1)(c1ccccc1)c1ccccc1)[O]=C(c1ccccc1)C=C(O2)c1ccccc1
• Title of publication: Near infrared organic light emitting devices based on a new erbium(iii) β-diketonate complex: synthesis and optoelectronic investigations
• Authors of publication: Ahmed, Zubair; Aderne, Rian E.; Kai, Jiang; Resende, Jackson A. L. C.; Padilla-Chavarría, Helmut I.; Cremona, Marco
• Journal of publication: RSC Adv.
• Year of publication: 2017
• Journal volume: 7
• Journal issue: 30
• Pages of publication: 18239
• a: 11.4558 ± 0.0005 Å
• b: 12.2566 ± 0.0005 Å
• c: 18.7593 ± 0.0008 Å
• α: 87.5699 ± 0.0013°
• β: 84.3897 ± 0.0014°
• γ: 77.4603 ± 0.0013°
• Cell volume: 2558.22 ± 0.19 ų
• Cell temperature: 294 ± 2 K
• Ambient diffraction temperature: 294.07 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0427
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0552
• Weighted residual factors for all reflections included in the refinement: 0.0593
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No