Information card for entry 7709170

Structure parameters

• Formula: C37 H50 B20 Cu2 N O11
• Calculated formula: C33 H41 B20 Cu2 O10
• Title of publication: Rational design of carborane-based Cu2-paddle wheel coordination polymers for increased hydrolytic stability
• Authors of publication: Li, Zhen; Choquesillo-Lazarte, Duane; Fraile, Julio; Viñas, Clara; Teixidor, Francesc; Planas, José G.
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 26.912 ± 0.004 Å
• b: 7.1244 ± 0.0009 Å
• c: 28.323 ± 0.004 Å
• α: 90°
• β: 109.957 ± 0.005°
• γ: 90°
• Cell volume: 5104.3 ± 1.2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/c 1
• Hall space group symbol: -P 2yc
• Residual factor for all reflections: 0.1436
• Residual factor for significantly intense reflections: 0.0694
• Weighted residual factors for significantly intense reflections: 0.1695
• Weighted residual factors for all reflections included in the refinement: 0.2078
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No