Information card for entry 7048785

Structure parameters

• Formula: C18 H24 B0.5 Cu0.5 F2 N2
• Calculated formula: C18 H24 B0.5 Cu0.5 F2 N2
• Title of publication: A New Tri-nuclear Cu-carbonate Cluster Utilizing CO2 as C1-Building Block-Reactive Intermediates, Probable Mechanism, EPR and Magnetic Studies
• Authors of publication: Das, Biswanath; Bhadbhade, Mohan; Thapper, Anders; Ling, Chris D.; Colbran, Stephen Boyd
• Journal of publication: Dalton Transactions
• Year of publication: 2019
• a: 11.2232 ± 0.0015 Å
• b: 11.2232 ± 0.0015 Å
• c: 27.924 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3046.1 ± 0.7 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 154
• Hermann-Mauguin space group symbol: P 32 2 1
• Hall space group symbol: P 32 2"
• Residual factor for all reflections: 0.0857
• Residual factor for significantly intense reflections: 0.0787
• Weighted residual factors for significantly intense reflections: 0.2163
• Weighted residual factors for all reflections included in the refinement: 0.2253
• Goodness-of-fit parameter for all reflections included in the refinement: 1.097
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No