Information card for entry 7045199

Structure parameters

• Formula: C42 H57 Cl2 Cu2 N7 O10
• Calculated formula: C42 H57 Cl2 Cu2 N7 O10
• Title of publication: Copper(i) complexes based on ligand systems with two different binding sites: synthesis, structures and reaction with O2.
• Authors of publication: Li, S. T.; Braun-Cula, B; Hoof, S.; Limberg, C.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2018
• Journal volume: 47
• Journal issue: 2
• Pages of publication: 544 - 560
• a: 16.6002 ± 0.0007 Å
• b: 17.2054 ± 0.0007 Å
• c: 31.578 ± 0.0017 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 9019.1 ± 0.7 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0587
• Residual factor for significantly intense reflections: 0.0452
• Weighted residual factors for significantly intense reflections: 0.1136
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 1.035
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No