Information card for entry 7716458

Structure parameters

• Formula: C27 H27 Cu N3 O3
• Calculated formula: C27 H27 Cu N3 O3
• Title of publication: Complex Isomerism Influencing the Texture Properties of Organometallic [Cu(salen)] Porous Polymers: Paramagnetic Solid-State NMR Characterization and Heterogeneous Catalysis
• Authors of publication: Šorm, David; Blahut, Jan; Bashta, Bogdana; Cisarova, Ivana; Vrbková, Eva; Vyskocilova, Eliska; Sedláček, Jan
• Journal of publication: Dalton Transactions
• Year of publication: 2024
• a: 8.638 ± 0.0003 Å
• b: 31.0524 ± 0.001 Å
• c: 8.6749 ± 0.0003 Å
• α: 90°
• β: 90.667 ± 0.002°
• γ: 90°
• Cell volume: 2326.72 ± 0.14 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 5
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.0641
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.141
• Weighted residual factors for all reflections included in the refinement: 0.1425
• Goodness-of-fit parameter for all reflections included in the refinement: 1.157
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No