Information card for entry 4339032

Structure parameters

• Formula: C17 H25 Cl2 Cu N3 O9 S
• Calculated formula: C17 H25 Cl2 Cu N3 O9 S
• Title of publication: Copper(I) complex O(2)-reactivity with a N(3)S thioether ligand: a copper-dioxygen adduct including sulfur ligation, ligand oxygenation, and comparisons with all nitrogen ligand analogues.
• Authors of publication: Lee, Dong-Heon; Hatcher, Lanying Q.; Vance, Michael A.; Sarangi, Ritimukta; Milligan, Ashley E.; Sarjeant, Amy A Narducci; Incarvito, Christopher D.; Rheingold, Arnold L.; Hodgson, Keith O.; Hedman, Britt; Solomon, Edward I.; Karlin, Kenneth D.
• Journal of publication: Inorganic chemistry
• Year of publication: 2007
• Journal volume: 46
• Journal issue: 15
• Pages of publication: 6056 - 6068
• a: 14.9945 ± 0.0008 Å
• b: 23.5994 ± 0.0013 Å
• c: 14.2714 ± 0.0008 Å
• α: 90°
• β: 112.112 ± 0.001°
• γ: 90°
• Cell volume: 4678.7 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0561
• Residual factor for significantly intense reflections: 0.0463
• Weighted residual factors for significantly intense reflections: 0.1269
• Weighted residual factors for all reflections included in the refinement: 0.1355
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No