Information card for entry 4322064

Structure parameters

• Formula: C8 H19 Br2 Cu N3
• Calculated formula: C8 H19 Br2 Cu N3
• Title of publication: Structure-Reactivity Studies in Copper(II)-Catalyzed Phosphodiester Hydrolysis
• Authors of publication: Eric L. Hegg; Stephen H. Mortimore; Chin Li Cheung; Jennifer E. Huyett; Douglas R. Powell; Judith N. Burstyn
• Journal of publication: Inorganic Chemistry
• Year of publication: 1999
• Journal volume: 38
• Pages of publication: 2961 - 2968
• a: 13.7621 ± 0.001 Å
• b: 8.7492 ± 0.0013 Å
• c: 10.0073 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1205 ± 0.2 ų
• Cell temperature: 113 ± 2 K
• Ambient diffraction temperature: 113 ± 2 K
• Number of distinct elements: 5
• Space group number: 62
• Hermann-Mauguin space group symbol: P n m a
• Hall space group symbol: -P 2ac 2n
• Residual factor for all reflections: 0.0514
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for all reflections: 0.1048
• Weighted residual factors for significantly intense reflections: 0.1022
• Goodness-of-fit parameter for all reflections: 1.178
• Goodness-of-fit parameter for significantly intense reflections: 1.194
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No