Information card for entry 1569772

Structure parameters

• Formula: C24 H22 Cl4 Cu2 N2 O2 Se2
• Calculated formula: C24 H22 Cl4 Cu2 N2 O2 Se2
• SMILES: c12cccc[n]2[Cu]2([O]3[Cu]([n]4c(cccc4)C[Se]=3c3ccccc3)([O]2=[Se](C1)c1ccccc1)(Cl)Cl)(Cl)Cl
• Title of publication: Chalcogen bonding in copper(II)-mediated synthesis.
• Authors of publication: Aliyeva, Vusala A.; Gurbanov, Atash V.; Mahmoud, Abdallah G.; Gomila, Rosa M.; Frontera, Antonio; Mahmudov, Kamran T.; Pombeiro, Armando J. L.
• Journal of publication: Faraday discussions
• Year of publication: 2023
• Journal volume: 244
• Journal issue: 0
• Pages of publication: 77 - 95
• a: 7.7872 ± 0.0002 Å
• b: 13.1414 ± 0.0004 Å
• c: 14.2735 ± 0.0005 Å
• α: 90°
• β: 100.945 ± 0.001°
• γ: 90°
• Cell volume: 1434.1 ± 0.08 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• 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: 0.0252
• Residual factor for significantly intense reflections: 0.0184
• Weighted residual factors for significantly intense reflections: 0.0391
• Weighted residual factors for all reflections included in the refinement: 0.0411
• Goodness-of-fit parameter for all reflections included in the refinement: 1.048
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No