Information card for entry 4115302

Structure parameters

• Formula: C113 H158 Cl12 Cu6 N18 O11
• Calculated formula: C56.5 H72 Cl6 Cu3 N9 O5.5
• Title of publication: Trinuclear Copper(II) Complex Showing High Selectivity for the Hydrolysis of 2'-5' over 3'-5' for UpU and 3'-5' over 2'-5' for ApA Ribonucleotides
• Authors of publication: Makoto Komiyama; Shinichiro Kina; Kazunari Matsumura; Jun Sumaoka; Suzanne Tobey; Vincent M. Lynch; Eric Anslyn
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2002
• Journal volume: 124
• Pages of publication: 13731 - 13736
• a: 12.1429 ± 0.0003 Å
• b: 33.2454 ± 0.0008 Å
• c: 15.7008 ± 0.0004 Å
• α: 90°
• β: 94.494 ± 0.001°
• γ: 90°
• Cell volume: 6318.9 ± 0.3 ų
• Cell temperature: 153 ± 2 K
• Ambient diffraction temperature: 153 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.1953
• Residual factor for significantly intense reflections: 0.116
• Weighted residual factors for significantly intense reflections: 0.1639
• Weighted residual factors for all reflections included in the refinement: 0.1798
• Goodness-of-fit parameter for all reflections included in the refinement: 1.867
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No