Information card for entry 7107337

Structure parameters

• Formula: C15 H33 N3 Ni O5
• Calculated formula: C15 H32 N3 Ni O5
• SMILES: C1C[N]2(CCC[NH]3[Ni]2(OC(=O)C)([NH](CCC3)C1)(OC(=O)C)[OH2])CC
• 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: 15.612 ± 0.002 Å
• b: 15.6754 ± 0.0018 Å
• c: 7.938 ± 0.0009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1942.6 ± 0.4 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 5
• Space group number: 18
• Hermann-Mauguin space group symbol: P 21 21 2
• Hall space group symbol: P 2 2ab
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0556
• Weighted residual factors for significantly intense reflections: 0.1462
• Weighted residual factors for all reflections included in the refinement: 0.1513
• Goodness-of-fit parameter for all reflections included in the refinement: 1.103
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No