Information card for entry 7202869

Structure parameters

• Formula: C14 H12 Br Cu N3 O2
• Calculated formula: C14 H12 Br Cu N3 O2
• SMILES: [Cu]12([N](N=C(O1)c1c(O)cccc1)=C(c1[n]2cccc1)C)Br
• Title of publication: Synthesis and structure of 2-acetylpyridine-salicyloylhydrazone and its copper(ii) and zinc(ii) complexes. The effect of the metal coordination on the weak intermolecular interactions
• Authors of publication: Barbazán, Paula; Carballo, Rosa; Vázquez-López, Ezequiel M.
• Journal of publication: CrystEngComm
• Year of publication: 2007
• Journal volume: 9
• Journal issue: 8
• Pages of publication: 668
• a: 6.7539 ± 0.0009 Å
• b: 9.3441 ± 0.0012 Å
• c: 11.4902 ± 0.0015 Å
• α: 89.773 ± 0.003°
• β: 81.497 ± 0.003°
• γ: 88.363 ± 0.003°
• Cell volume: 716.87 ± 0.16 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1337
• Residual factor for significantly intense reflections: 0.0491
• Weighted residual factors for significantly intense reflections: 0.0835
• Weighted residual factors for all reflections included in the refinement: 0.1028
• Goodness-of-fit parameter for all reflections included in the refinement: 0.752
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No