Information card for entry 4113756

Structure parameters

• Formula: C27 H39 Cl2 Cu N4 O10
• Calculated formula: C27 H31 Cl2 Cu N4 O10
• Title of publication: Copper(I) and Copper(II) Complexes Possessing Cross-Linked Imidazole-Phenol Ligands: Structures and Dioxygen Reactivity
• Authors of publication: Kaliappan Kamaraj; Eunsuk Kim; Benedikt Galliker; Lev N. Zakharov; Arnold L. Rheingold; Andreas D. Zuberbühler; Kenneth D. Karlin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 6028 - 6029
• a: 9.2032 ± 0.0005 Å
• b: 10.0234 ± 0.0006 Å
• c: 19.8969 ± 0.0011 Å
• α: 88.543 ± 0.001°
• β: 78.863 ± 0.001°
• γ: 63.471 ± 0.001°
• Cell volume: 1607.38 ± 0.16 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0711
• Residual factor for significantly intense reflections: 0.0567
• Weighted residual factors for significantly intense reflections: 0.1535
• Weighted residual factors for all reflections included in the refinement: 0.1633
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No