Information card for entry 7019733

Structure parameters

• Formula: C11 H14 Cu N2 O5
• Calculated formula: C11 H14 Cu N2 O5
• SMILES: C1(=O)C(C)=[N]2[Cu](O1)(OC(=N2)c1ccc(cc1)C)([OH2])[OH2]
• 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: 7.3879 ± 0.0009 Å
• b: 11.4695 ± 0.0013 Å
• c: 15.3898 ± 0.0018 Å
• α: 93.602 ± 0.002°
• β: 102.437 ± 0.002°
• γ: 103.124 ± 0.002°
• Cell volume: 1231.6 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 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: 0.0471
• Residual factor for significantly intense reflections: 0.0379
• Weighted residual factors for significantly intense reflections: 0.0982
• Weighted residual factors for all reflections included in the refinement: 0.1048
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No