Information card for entry 7714009

Structure parameters

• Formula: C18 H18 B2 Cu2 F8 N4
• Calculated formula: C18 H18 B2 Cu2 F8 N4
• SMILES: [Cu]12([n]3c(cccc3)c3[n]1c1c4[n]([Cu]5(n1cc3)[CH2]=[CH2]5)cccc4)[CH2]=[CH2]2.[B](F)(F)(F)[F-].[B](F)(F)(F)[F-]
• 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: 11.1296 ± 0.0004 Å
• b: 12.9401 ± 0.0004 Å
• c: 15.7337 ± 0.0007 Å
• α: 90°
• β: 109.055 ± 0.004°
• γ: 90°
• Cell volume: 2141.78 ± 0.15 ų
• Cell temperature: 97.15 K
• Ambient diffraction temperature: 97.15 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: 0.0355
• Residual factor for significantly intense reflections: 0.0306
• Weighted residual factors for significantly intense reflections: 0.0753
• Weighted residual factors for all reflections included in the refinement: 0.0776
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No