Information card for entry 4113461

Structure parameters

• Formula: C15 H37 Cl3 N6 O11 Zn2
• Calculated formula: C15 H37 Cl3 N6 O11 Zn2
• Title of publication: Physical and Kinetic Analysis of the Cooperative Role of Metal Ions in Catalysis of Phosphodiester Cleavage by a Dinuclear Zn(II) Complex
• Authors of publication: Olga Iranzo; Andrey Y. Kovalevsky; Janet R. Morrow; John P. Richard
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2003
• Journal volume: 125
• Pages of publication: 1988 - 1993
• a: 11.7153 ± 0.0002 Å
• b: 10.3734 ± 0.0002 Å
• c: 21.5665 ± 0.0003 Å
• α: 90°
• β: 96.472 ± 0.001°
• γ: 90°
• Cell volume: 2604.22 ± 0.08 ų
• Cell temperature: 90 ± 1 K
• Ambient diffraction temperature: 90 ± 1 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: 0.0729
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1322
• Weighted residual factors for all reflections included in the refinement: 0.1396
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No