Information card for entry 7706594

Structure parameters

• Formula: C13.25 H27 Cl2 Cu N4 O8.25
• Calculated formula: C13.25 H27 Cl2 Cu N4 O8.25
• Title of publication: Copper(ii) complexes of N-propargyl cyclam ligands reveal a range of coordination modes and colours, and unexpected reactivity.
• Authors of publication: Counsell, Andrew J.; Yu, Mingfeng; Shi, Mengying; Jones, Angus T.; Batten, James M.; Turner, Peter; Todd, Matthew H.; Rutledge, Peter J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2021
• Journal volume: 50
• Journal issue: 11
• Pages of publication: 3931 - 3942
• a: 31.689 ± 0.005 Å
• b: 8.5129 ± 0.0012 Å
• c: 16.517 ± 0.002 Å
• α: 90°
• β: 112.422 ± 0.002°
• γ: 90°
• Cell volume: 4118.9 ± 1 ų
• Cell temperature: 150 ± 0.5 K
• Ambient diffraction temperature: 150 ± 0.5 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0463
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0873
• Weighted residual factors for all reflections included in the refinement: 0.0907
• Goodness-of-fit parameter for all reflections included in the refinement: 1.362
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No