Information card for entry 2311368

Structure parameters

• Chemical name: Dibromido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methylidene]picolinohydrazide-κ^2^<i>N</i>',<i>O</i>}cadmium methanol monosolvate
• Formula: C13 H14 Br2 Cd N4 O2
• Calculated formula: C13 H14 Br2 Cd N4 O2
• SMILES: c1cccc2C=[N]3NC(c4ccccn4)=[O][Cd]3([n]12)(Br)Br.CO
• Title of publication: Crystal structures of di-bromido-{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ²<i>N</i>',<i>O</i>}cadmium methanol monosolvate and di-iodido{<i>N</i>-[(pyridin-2-yl-κ<i>N</i>)methyl-idene]picolinohydrazide-κ²<i>N</i>',<i>O</i>}cadmium.
• Authors of publication: Khandar, Ali Akbar; Afkhami, Farhad Akbari; Krautscheid, Harald; Kristoffersen, Kenneth Aase; Atioğlu, Zeliha; Akkurt, Mehmet; Görbitz, Carl Henrik
• Journal of publication: Acta crystallographica. Section E, Crystallographic communications
• Year of publication: 2017
• Journal volume: 73
• Journal issue: Pt 5
• Pages of publication: 698 - 701
• a: 7.5482 ± 0.0004 Å
• b: 15.7571 ± 0.0008 Å
• c: 14.6407 ± 0.0006 Å
• α: 90°
• β: 95.132 ± 0.004°
• γ: 90°
• Cell volume: 1734.35 ± 0.15 ų
• Cell temperature: 130 ± 0.1 K
• Ambient diffraction temperature: 130 ± 0.1 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: 0.0486
• Residual factor for significantly intense reflections: 0.0335
• Weighted residual factors for significantly intense reflections: 0.071
• Weighted residual factors for all reflections included in the refinement: 0.0779
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No