Information card for entry 7220563

Structure parameters

• Formula: C16 H25 Cu5 O33
• Calculated formula: C16 H25 Cu5 O33
• Title of publication: Synthesis and structural characterization of six Cu(ii)-based coordination polymers using the thermally tunable 1,2,3,4-cyclobutanetetracarboxylic acid
• Authors of publication: Díaz-Gallifa, P.; Fabelo, O.; Pasán, J.; Cañadillas-Delgado, L.; Ramírez, M. A.; Gallardo, A. G.; Ruiz-Pérez, C.
• Journal of publication: CrystEngComm
• Year of publication: 2015
• Journal volume: 17
• Journal issue: 27
• Pages of publication: 5081
• a: 8.7022 ± 0.0003 Å
• b: 8.952 ± 0.0003 Å
• c: 12.6698 ± 0.0006 Å
• α: 106.807 ± 0.004°
• β: 90.983 ± 0.003°
• γ: 110.054 ± 0.002°
• Cell volume: 880.1 ± 0.06 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.047
• Residual factor for significantly intense reflections: 0.0342
• Weighted residual factors for significantly intense reflections: 0.0812
• Weighted residual factors for all reflections included in the refinement: 0.0871
• Goodness-of-fit parameter for all reflections included in the refinement: 1.049
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No