Information card for entry 2019490

Structure parameters

• Chemical name: Aquahexa-μ-chlorido-μ~4~-oxido-tris(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒hexa-μ-chlorido-μ~4~-oxido-tetrakis(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒tetrahydrofuran (2/1/4)
• Formula: C56 H116 Cl18 Cu12 O19
• Calculated formula: C56 H116 Cl18 Cu12 O19
• Title of publication: The bimolecular structure of aquahexa-μ-chlorido-μ~4~-oxido-tris(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒hexa-μ-chlorido-μ~4~-oxido-tetrakis(tetrahydrofuran-κ<i>O</i>)tetracopper(II)‒tetrahydrofuran (2/1/4)
• Authors of publication: Wheeler, Kraig A.; Helgren, Travis R.; Clayton, Jr, Thomas W.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 3
• Pages of publication: 306 - 311
• a: 27.9242 ± 0.0004 Å
• b: 31.1922 ± 0.0005 Å
• c: 32.2596 ± 0.0005 Å
• α: 90°
• β: 102.987 ± 0.001°
• γ: 90°
• Cell volume: 27379.9 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0409
• Weighted residual factors for significantly intense reflections: 0.0759
• Weighted residual factors for all reflections included in the refinement: 0.0888
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes