Information card for entry 7019732

Structure parameters

• Formula: C12 H15 Cu N3 O7
• Calculated formula: C12 H15 Cu N3 O7
• SMILES: C1(=O)C(C)=[N]2[Cu](O1)(OC(=N2)c1ccc(cc1)N(=O)=O)([OH]C)[OH]C
• Title of publication: Synthesis, characterisation and antitubercular activities of a series of pyruvate-containing aroylhydrazones and their Cu-complexes.
• Authors of publication: Jamadar, Abeda; Duhme-Klair, Anne-K; Vemuri, Kiranmayi; Sritharan, Manjula; Dandawate, Prasad; Padhye, Subhash
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2012
• Journal volume: 41
• Journal issue: 30
• Pages of publication: 9192 - 9201
• a: 7.8471 ± 0.0004 Å
• b: 17.0584 ± 0.0008 Å
• c: 11.0122 ± 0.0005 Å
• α: 90°
• β: 93.922 ± 0.001°
• γ: 90°
• Cell volume: 1470.63 ± 0.12 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0276
• Residual factor for significantly intense reflections: 0.0255
• Weighted residual factors for significantly intense reflections: 0.0695
• Weighted residual factors for all reflections included in the refinement: 0.0709
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No