Information card for entry 7008256

Structure parameters

• Formula: C15 H30 Cu F N5 O7
• Calculated formula: C15 H30 Cu F N5 O7
• SMILES: [Cu]12([NH]3CCNC(=O)C(F)C(=O)NCC[NH]2CC[NH]1CC3)(OC(=O)C)OC(=O)C.O
• Title of publication: Induction of B- to Z-DNA transition by copper and zinc complexes with C(15) substituted macrocyclic pentaaza ligands.
• Authors of publication: Spingler, Bernhard; Da Pieve, Chiara
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2005
• Journal issue: 9
• Pages of publication: 1637 - 1643
• a: 15.0078 ± 0.0006 Å
• b: 9.2569 ± 0.0005 Å
• c: 29.9742 ± 0.0012 Å
• α: 90°
• β: 100.063 ± 0.005°
• γ: 90°
• Cell volume: 4100.1 ± 0.3 ų
• Cell temperature: 183 ± 2 K
• Ambient diffraction temperature: 183 ± 2 K
• Number of distinct elements: 6
• 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: 0.0824
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1286
• Weighted residual factors for all reflections included in the refinement: 0.145
• Goodness-of-fit parameter for all reflections included in the refinement: 0.892
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No