Information card for entry 7016637

Structure parameters

• Formula: C18 H24 N8 O3
• Calculated formula: C18 H24 N8 O3
• SMILES: O=C(NCCn1c(ncc1N(=O)=O)C)C(n1nc(cc1C)C)n1nc(cc1C)C
• Title of publication: Nitroimidazole and glucosamine conjugated heteroscorpionate ligands and related copper(ii) complexes. Syntheses, biological activity and XAS studies.
• Authors of publication: Pellei, Maura; Papini, Grazia; Trasatti, Andrea; Giorgetti, Marco; Tonelli, Domenica; Minicucci, Marco; Marzano, Cristina; Gandin, Valentina; Aquilanti, Giuliana; Dolmella, Alessandro; Santini, Carlo
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 38
• Pages of publication: 9877 - 9888
• a: 11.7813 ± 0.0014 Å
• b: 16.3076 ± 0.0011 Å
• c: 10.432 ± 0.0014 Å
• α: 90°
• β: 90.818 ± 0.012°
• γ: 90°
• Cell volume: 2004 ± 0.4 ų
• Cell temperature: 297 ± 1 K
• Ambient diffraction temperature: 297 ± 1 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0756
• Residual factor for significantly intense reflections: 0.0587
• Weighted residual factors for significantly intense reflections: 0.1731
• Weighted residual factors for all reflections included in the refinement: 0.1834
• Goodness-of-fit parameter for all reflections included in the refinement: 1.061
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No