Information card for entry 7107335

Structure parameters

• Formula: C27 H60 F6 N6 Ni2 O14 S2
• Calculated formula: C27 H38 F6 N6 Ni2 O14 S2
• Title of publication: When two metal centres are needed instead of one: exclusive induction of Z-DNA by dinuclear metal complexes
• Authors of publication: Alfredo Medina-Molner; Bernhard Spingler
• Journal of publication: Chem.Commun.
• Year of publication: 2012
• Journal volume: 48
• Pages of publication: 1961
• a: 16.1025 ± 0.001 Å
• b: 15.5813 ± 0.0008 Å
• c: 17.0644 ± 0.0011 Å
• α: 90°
• β: 98.454 ± 0.008°
• γ: 90°
• Cell volume: 4234.9 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 7
• Space group number: 15
• Hermann-Mauguin space group symbol: I 1 2/a 1
• Hall space group symbol: -I 2ya
• Residual factor for all reflections: 0.0821
• Residual factor for significantly intense reflections: 0.0658
• Weighted residual factors for significantly intense reflections: 0.1939
• Weighted residual factors for all reflections included in the refinement: 0.2106
• Goodness-of-fit parameter for all reflections included in the refinement: 1.078
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No