Information card for entry 2004899

Structure parameters

• Formula: C12 H24 Cu N6 S2
• Calculated formula: C6.5 H12 Cu0.5 N3.5 S1.5
• Title of publication: (Isothiocyanato)[(1<i>RS</i>,4<i>RS</i>,8<i>SR</i>,11<i>SR</i>)-1,4,8,11-tetraazacyclotetradecane]copper(II) Thiocyanate, [Cu(NCS)(cyclam)](SCN)
• Authors of publication: Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chung, C.-S.; Huang, C.-C.; Hong, Y.-S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 5
• Pages of publication: 1093 - 1095
• a: 9.358 ± 0.001 Å
• b: 13.408 ± 0.001 Å
• c: 13.755 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1725.9 ± 0.3 ų
• Cell temperature: 298 ± 3 K
• Number of distinct elements: 5
• Hermann-Mauguin space group symbol: P m c n
• Hall space group symbol: -P 2n -21
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.048
• Goodness-of-fit parameter for significantly intense reflections: 1.53
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No