Information card for entry 2210443

Structure parameters

• Formula: C9 H20 Cl2 Cu N6 O4
• Calculated formula: C9 H20 Cl2 Cu N6 O4
• SMILES: [Cu]12(Cl)([NH2]CC[NH]1CCC[NH2]2)[n]1c(nccc1)N.Cl(=O)(=O)(=O)[O-]
• Title of publication: [<i>N</i>-(2-Aminoethyl)-<i>N</i>-(3-aminopropyl)amine](2-aminopyrimidine)chlorocopper(II) perchlorate
• Authors of publication: Jian Gao; Tongtao Xu; Daqi Wang
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2006
• Journal volume: 62
• Journal issue: 9
• Pages of publication: m2189 - m2190
• a: 12.019 ± 0.002 Å
• b: 15.45 ± 0.003 Å
• c: 8.8057 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1635.2 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 33
• Hermann-Mauguin space group symbol: P n a 21
• Hall space group symbol: P 2c -2n
• Residual factor for all reflections: 0.071
• Residual factor for significantly intense reflections: 0.063
• Weighted residual factors for significantly intense reflections: 0.144
• Weighted residual factors for all reflections included in the refinement: 0.148
• Goodness-of-fit parameter for all reflections included in the refinement: 1.159
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes