Information card for entry 7045192

Structure parameters

• Formula: C37 H45.5 Cl2 Cu2 N6.5 O
• Calculated formula: C37 H45.5 Cl2 Cu2 N6.5 O
• 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: 15.9214 ± 0.0009 Å
• b: 14.9212 ± 0.0009 Å
• c: 16.2057 ± 0.001 Å
• α: 90°
• β: 112.376 ± 0.002°
• γ: 90°
• Cell volume: 3560.1 ± 0.4 ų
• Cell temperature: 105 ± 2 K
• Ambient diffraction temperature: 105 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0801
• Residual factor for significantly intense reflections: 0.0442
• Weighted residual factors for significantly intense reflections: 0.0932
• Weighted residual factors for all reflections included in the refinement: 0.1068
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No