Information card for entry 7720213

Structure parameters

• Formula: C13 H9 Cu I N3 O
• Calculated formula: C13 H9 Cu I N3 O
• Title of publication: Diverse structures and emission properties of copper(I) iodide complexes based on an oxadiazole-type ligand.
• Authors of publication: Gusev, Alexey; Kiskin, Mikhail; Braga, Elena; Zamnius, Ekaterina; Zakharov, Konstantin; Tyutyunik, Andrey; Vlasenko, Valery; Zueva, Ekaterina; Petrova, Maria; Linert, Wolfgang
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2026
• Journal volume: 55
• Journal issue: 7
• Pages of publication: 3138 - 3151
• a: 11.0011 ± 0.0013 Å
• b: 8.2803 ± 0.0009 Å
• c: 14.8098 ± 0.0016 Å
• α: 90°
• β: 104.035 ± 0.002°
• γ: 90°
• Cell volume: 1308.8 ± 0.3 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.02
• Weighted residual factors for significantly intense reflections: 0.0494
• Weighted residual factors for all reflections included in the refinement: 0.05
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No