Information card for entry 2225095

Structure parameters

• Chemical name: Tris(propionitrile-κ<i>N</i>)[1,4,7-tris(cyanomethyl)-1,4,7-triazacyclononane- κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^]copper(II) bis(perchlorate) dihydrate
• Formula: C21 H37 Cl2 Cu N9 O10
• Calculated formula: C21 H37 Cl2 Cu N9 O10
• Title of publication: Tris(propionitrile-κ<i>N</i>)[1,4,7-tris(cyanomethyl)-1,4,7-triazacyclononane-κ^3^<i>N</i>^1^,<i>N</i>^4^,<i>N</i>^7^]copper(II) bis(perchlorate) dihydrate
• Authors of publication: Zhang, Zhong; Lu, Jianqi; Wu, Difeng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 2
• Pages of publication: m235 - m236
• a: 9.962 ± 0.002 Å
• b: 9.962 ± 0.002 Å
• c: 61.623 ± 0.018 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 5296 ± 2 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0674
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.1374
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.989
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes