Information card for entry 7008778

Structure parameters

• Formula: C12 H15 Cl N4 O3
• Calculated formula: C12 H15 Cl N4 O3
• SMILES: [nH+]1c2c(O)cccc2ccc1/C=N/NC(=O)N.[Cl-].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: 6.625 ± 0.001 Å
• b: 8.08 ± 0.001 Å
• c: 12.955 ± 0.001 Å
• α: 92.16 ± 0.01°
• β: 91.99 ± 0.01°
• γ: 103.48 ± 0.01°
• Cell volume: 673.22 ± 0.14 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 2 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: 0.1306
• Residual factor for significantly intense reflections: 0.1014
• Weighted residual factors for significantly intense reflections: 0.2423
• Weighted residual factors for all reflections included in the refinement: 0.2543
• Goodness-of-fit parameter for all reflections included in the refinement: 1.602
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No