Information card for entry 1502715

Structure parameters

• Formula: C54 H70 Cl4 Cu2 N12 O23
• Calculated formula: C54 H70 Cl4 Cu2 N12 O23
• Title of publication: Potential cross-linking transition metal complexes (M = Ni, Cu, Zn) in the ligand-modified LNA duplexes.
• Authors of publication: Hirva, Pipsa; Nielsen, Anne; Bond, Andrew D.; McKenzie, Christine J.
• Journal of publication: The journal of physical chemistry. B
• Year of publication: 2010
• Journal volume: 114
• Journal issue: 36
• Pages of publication: 11942 - 11948
• a: 35.166 ± 0.002 Å
• b: 8.308 ± 0.005 Å
• c: 22.479 ± 0.001 Å
• α: 90°
• β: 101.477 ± 0.004°
• γ: 90°
• Cell volume: 6436 ± 4 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 5
• Hermann-Mauguin space group symbol: C 1 2 1
• Hall space group symbol: C 2y
• Residual factor for all reflections: 0.1213
• Residual factor for significantly intense reflections: 0.1077
• Weighted residual factors for significantly intense reflections: 0.3123
• Weighted residual factors for all reflections included in the refinement: 0.3342
• Goodness-of-fit parameter for all reflections included in the refinement: 1.208
• Diffraction radiation wavelength: 0.897 Å
• Diffraction radiation type: synchrotron
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No