Information card for entry 7008779

Structure parameters

• Formula: C12 H14 Cl3 Er N4 O3
• Calculated formula: C12 H14 Cl3 Er N4 O3
• SMILES: [Er]123(Cl)(Cl)(Cl)[n]4c5c([OH]1)cccc5ccc4C=[N]2NC(=[O]3)N.OC
• Title of publication: 2-[(8-Hydroxyquinolinyl)methylene]hydrazinecarboxamide: expanding the coordination sphere of 8-hydroxyquinoline for coordination of rare-earth metal(iii) ions
• Authors of publication: Albrecht, Markus; Osetska, Olga; Fröhlich, Roland
• Journal of publication: Dalton Transactions
• Year of publication: 2005
• Journal issue: 23
• Pages of publication: 3757
• a: 7.982 ± 0.001 Å
• b: 19.237 ± 0.001 Å
• c: 10.999 ± 0.001 Å
• α: 90°
• β: 95.21 ± 0.01°
• γ: 90°
• Cell volume: 1681.9 ± 0.3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 K
• Number of distinct elements: 6
• 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: 0.0377
• Residual factor for significantly intense reflections: 0.0343
• Weighted residual factors for significantly intense reflections: 0.0895
• Weighted residual factors for all reflections included in the refinement: 0.0919
• Goodness-of-fit parameter for all reflections included in the refinement: 1.03
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No