Information card for entry 4107726

Structure parameters

• Formula: C19 H19 Cl3 Cu N4 O4
• Calculated formula: C19 H19 Cl3 Cu N4 O4
• Title of publication: Suggestion of an Organometallic Intermediate in an Intramolecular Dechlorination Reaction Involving Copper(I) and a ArCH2Cl Moiety
• Authors of publication: Debabrata Maiti; Amy A. Narducci Sarjeant; Shinobu Itoh; Kenneth D. Karlin
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2008
• Journal volume: 130
• Pages of publication: 5644 - 5645
• a: 8.4827 ± 0.0009 Å
• b: 13.8667 ± 0.0017 Å
• c: 18.602 ± 0.006 Å
• α: 90°
• β: 101.033 ± 0.015°
• γ: 90°
• Cell volume: 2147.7 ± 0.8 ų
• Ambient diffraction temperature: 110 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: 0.058
• Residual factor for significantly intense reflections: 0.0374
• Weighted residual factors for significantly intense reflections: 0.1003
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.093
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No