Information card for entry 2206015

Structure parameters

• Common name: cyclo-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^C^2^:C^2^,N}copper tetrahydrofuran solvate
• Chemical name: cyclo-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^C^2^:C^2^,N}copper tetrahydrofuran solvate
• Formula: C40 H56 Cu4 N4 O
• Calculated formula: C40 H56 Cu4 N4 O
• Title of publication: A second polymorph of <i>cyclo</i>-tetrakis{μ~2~-[(dimethylamino)methyl]phenyl-κ^3^<i>C</i>^2^:<i>C</i>^2^,<i>N</i>}copper tetrahydrofuran solvate
• Authors of publication: Tooke, Duncan M.; Lutz, Martin; Spek, Anthony L.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2005
• Journal volume: 61
• Journal issue: 6
• Pages of publication: m1245 - m1247
• a: 9.4952 ± 0.0002 Å
• b: 13.2026 ± 0.0003 Å
• c: 31.5269 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3952.25 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0201
• Residual factor for significantly intense reflections: 0.0187
• Weighted residual factors for significantly intense reflections: 0.0438
• Weighted residual factors for all reflections included in the refinement: 0.0448
• Goodness-of-fit parameter for all reflections included in the refinement: 1.041
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes