Information card for entry 2008497

Structure parameters

• Chemical name: Hydrated,bis[(diethylenetrimine)copper]-μ-(1,3-imidazolate-N,N') triperchlorate
• Formula: C11 H29 Cl3 Cu2 N8 O13
• Calculated formula: C11 H27 Cl3 Cu2 N8 O13
• SMILES: C1CN2CC[NH2][Cu]2([NH2]1)n1c[n](cc1)[Cu]12N(CC[NH2]2)CC[NH2]1.[O-]Cl(=O)(=O)=O.[O-]Cl(=O)(=O)=O.O.Cl(=O)(=O)(=O)[O-]
• Title of publication: μ-1,3-Imidazolyl-κN:κN'-bis[(diethylenetriaminato-κ^3^N)copper] triperchlorate hydrate
• Authors of publication: Bu, Weiming; Ye, Ling; Zhu, Hailiang; Yang, Guangdi; Fan, Yuguo; Tang, Wenxia
• Journal of publication: Acta Crystallographica, Section C: Crystal Structure Communications
• Year of publication: 1999
• Journal volume: 55
• Journal issue: 5
• Pages of publication: IUC9900045
• a: 8.695 ± 0.0008 Å
• b: 12.1085 ± 0.0015 Å
• c: 12.4538 ± 0.0011 Å
• α: 80.905 ± 0.007°
• β: 86.368 ± 0.009°
• γ: 84.22 ± 0.009°
• Cell volume: 1286.4 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0426
• Weighted residual factors for all reflections: 0.0654
• Weighted residual factors for significantly intense reflections: 0.0521
• Goodness-of-fit parameter for all reflections: 1.015
• Goodness-of-fit parameter for significantly intense reflections: 1.156
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 2003107
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No