Information card for entry 7057660

Structure parameters

• Formula: C13 H11 Cl3 Cu N6 O6
• Calculated formula: C13 H11 Cl3 Cu N6 O6
• 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: 9.5429 ± 0.0004 Å
• b: 11.9046 ± 0.0006 Å
• c: 17.3544 ± 0.001 Å
• α: 90°
• β: 96.285 ± 0.005°
• γ: 90°
• Cell volume: 1959.69 ± 0.17 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.0775
• Residual factor for significantly intense reflections: 0.0466
• Weighted residual factors for significantly intense reflections: 0.0944
• Weighted residual factors for all reflections included in the refinement: 0.105
• Goodness-of-fit parameter for all reflections included in the refinement: 0.967
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No