Information card for entry 7714007

Structure parameters

• Formula: C18 H18 Cl2 Cu2 N4 O8
• Calculated formula: C18 H18 Cl2 Cu2 N4 O8
• SMILES: [Cu]12([n]3c(cccc3)c3[n]1c1c4[n]([Cu]5(n1cc3)[CH2]=[CH2]5)cccc4)[CH2]=[CH2]2.Cl(=O)(=O)(=O)[O-].Cl(=O)(=O)(=O)[O-]
• Title of publication: Structural diversity of copper(I) ethylene complexes with 2,4-bis(2-pyridyl)pyrimidine directed by anions
• Authors of publication: Maekawa, Masahiko; Hayashi, Terumasa; Sugimoto, Kunihisa; Okubo, Takashi; Kuroda-Sowa, T.
• Journal of publication: Dalton Transactions
• Year of publication: 2023
• a: 11.3225 ± 0.0003 Å
• b: 13.0447 ± 0.0004 Å
• c: 15.7577 ± 0.0005 Å
• α: 90°
• β: 109.276 ± 0.003°
• γ: 90°
• Cell volume: 2196.92 ± 0.12 ų
• Cell temperature: 100.15 K
• Ambient diffraction temperature: 100.15 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: 0.0462
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.1009
• Weighted residual factors for all reflections included in the refinement: 0.108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.072
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No