Information card for entry 1500029

Structure parameters

• Formula: C16 H32 Cu N14 O6
• Calculated formula: C16 H32 Cu N14 O6
• SMILES: [Cu]12([NH2]CC[NH2]1)[NH2]CC[NH2]2.O=C1N(C(=O)n(C)c2nn[n-]c12)C.O.O=C1N(C)c2nn[n-]c2C(=O)N1C.O
• Authors of publication: Carmen R. Maldonado; Miguel Quirós; Juan M. Salas
• Journal of publication: Polyhedron
• Year of publication: 2010
• Journal volume: 29
• Pages of publication: 372 - 378
• a: 7.5499 ± 0.0006 Å
• b: 8.1885 ± 0.0006 Å
• c: 10.9247 ± 0.0009 Å
• α: 108.819 ± 0.001°
• β: 96.302 ± 0.001°
• γ: 97.634 ± 0.001°
• Cell volume: 625.18 ± 0.09 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0311
• Residual factor for significantly intense reflections: 0.0303
• Weighted residual factors for significantly intense reflections: 0.0782
• Weighted residual factors for all reflections included in the refinement: 0.0787
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No