Information card for entry 7048784

Structure parameters

• Formula: C24 H40 B Cl2 Cu F4 N3
• Calculated formula: C24 H40 B0.9999 Cl2 Cu F3.9996 N3
• 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: 7.4731 ± 0.0005 Å
• b: 13.2115 ± 0.001 Å
• c: 14.9811 ± 0.0011 Å
• α: 86.824 ± 0.004°
• β: 81.552 ± 0.004°
• γ: 81.251 ± 0.004°
• Cell volume: 1445.2 ± 0.18 ų
• Cell temperature: 221.99 K
• Ambient diffraction temperature: 221.99 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0619
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.1096
• Weighted residual factors for all reflections included in the refinement: 0.1222
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No