Information card for entry 7057661

Structure parameters

• Formula: C12 H14 Cd N4 O6 S
• Calculated formula: C12 H14 Cd N4 O6 S
• Title of publication: Cd(ii) and Cu(ii) coordination polymers constructed from the expanded 1,4-bis(4-pyridyl)-2,3-diaza-1,3-butadiene ligand: conventional and ultrasound-assisted synthesis, crystal structure, luminescence and magnetic properties
• Authors of publication: Rad-Yousefnia, Negar; Shaabani, Behrouz; Zahedi, Mansoureh; Kubicki, Maciej; Aygün, Muhittin; Lloret, Francesc; Julve, Miguel; Grześkiewicz, Anita M.; Zakerhamidi, Mohammad Sadegh; Kazak, Canan
• Journal of publication: New Journal of Chemistry
• Year of publication: 2018
• Journal volume: 42
• Journal issue: 19
• Pages of publication: 15860
• a: 5.6469 ± 0.0006 Å
• b: 10.3807 ± 0.0008 Å
• c: 30.356 ± 0.004 Å
• α: 90°
• β: 94.598 ± 0.01°
• γ: 90°
• Cell volume: 1773.7 ± 0.3 ų
• Cell temperature: 100 ± 1 K
• Ambient diffraction temperature: 100 ± 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: 0.0708
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.1517
• Weighted residual factors for all reflections included in the refinement: 0.1555
• Goodness-of-fit parameter for all reflections included in the refinement: 1.122
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No