Information card for entry 2005985

Structure parameters

• Formula: C8 H17 Cl Cu N6 O4 S
• Calculated formula: C7 H17 Cl Cu N7 O8 S
• Title of publication: (Diethylenetriamine)(imidazole)(thiocyanato)copper(II) Perchlorate
• Authors of publication: Hu, H.-M.; Sun, H.-S.; Chen, X.-H.; Zhao, Q.; Pan, Y.; Huang, X.-Y.; You, X.-Z.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1997
• Journal volume: 53
• Journal issue: 3
• Pages of publication: 276 - 278
• a: 13.735 ± 0.003 Å
• b: 16.082 ± 0.006 Å
• c: 14.255 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3148.7 ± 1.6 ų
• Cell temperature: 296 K
• Number of distinct elements: 7
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.77
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No