Information card for entry 7720884

Structure parameters

• Formula: C18 H31 Cu N7 O6
• Calculated formula: C18 H31 Cu N7 O6
• Title of publication: Catalytic CO2 fixation into cyclic carbonates by copper(II) complexes of N4 ligands under mild conditions
• Authors of publication: Sethuraman, Muthuramalingam; Sohtun, Winaki P.; F, Prince Christofer; Velusamy, Marappan; Mayilmurugan, Ramasamy
• Journal of publication: Dalton Transactions
• Year of publication: 2026
• a: 8.509 ± 0.008 Å
• b: 11.488 ± 0.01 Å
• c: 23.43 ± 0.02 Å
• α: 90°
• β: 90°
• γ: 102.23 ± 0.03°
• Cell volume: 2238 ± 3 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 1 21/b
• Hall space group symbol: -P 2bc
• Residual factor for all reflections: 0.2641
• Residual factor for significantly intense reflections: 0.0893
• Weighted residual factors for significantly intense reflections: 0.1716
• Weighted residual factors for all reflections included in the refinement: 0.2416
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No