Information card for entry 2015783

Structure parameters

• Common name: rare earth MOCVD precursor
• Chemical name: Tris(acetylacetonato-κ^2^O,O')(1,10-phenanthroline-κ^2^N,N')erbium(III)
• Formula: C27 H29 Er N2 O6
• Calculated formula: C27 H29 Er N2 O6
• SMILES: [Er]1234(OC(=CC(=[O]1)C)C)(OC(=CC(=[O]2)C)C)([O]=C(C=C(O3)C)C)[n]1cccc2ccc3ccc[n]4c3c12
• Title of publication: Tris(acetylacetonato-κ^2^<i>O</i>,<i>O</i>')(1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')erbium(III)
• Authors of publication: Neelgund, Gururaj M.; Shivashankar, S. A.; Narasimhamurthy, T.; Rathore, R. S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 2
• Pages of publication: m74 - m76
• a: 9.466 ± 0.001 Å
• b: 21.025 ± 0.003 Å
• c: 14.643 ± 0.002 Å
• α: 90°
• β: 98.67 ± 0.002°
• γ: 90°
• Cell volume: 2881 ± 0.6 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0541
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.094
• Weighted residual factors for all reflections included in the refinement: 0.0979
• Goodness-of-fit parameter for all reflections included in the refinement: 1.256
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes