Information card for entry 7720210

Structure parameters

• Formula: C64 H50 Cl6 Cu2 I2 N6 O2 P2
• Calculated formula: C64 H50 Cl6 Cu2 I2 N6 O2 P2
• 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: 9.2193 ± 0.0005 Å
• b: 13.6159 ± 0.0008 Å
• c: 13.7054 ± 0.0008 Å
• α: 88.222 ± 0.002°
• β: 78.591 ± 0.002°
• γ: 74.893 ± 0.002°
• Cell volume: 1627.77 ± 0.16 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100.15 K
• Number of distinct elements: 8
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0629
• Residual factor for significantly intense reflections: 0.0413
• Weighted residual factors for significantly intense reflections: 0.07
• Weighted residual factors for all reflections included in the refinement: 0.0813
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No