Information card for entry 2001205

Structure parameters

• Formula: C24 H48 Cu2 N12 S4
• Calculated formula: C12 H24 Cu N6 S2
• Title of publication: Structure of isothiocyanato(1,4,7,11-tetraazacyclotetradecane)copper(II) thiocyanate
• Authors of publication: Tahirov, T. H.; Lu, T.-H.; Lan, W.-J.; Chung, C.-S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1908 - 1910
• a: 9.688 ± 0.002 Å
• b: 14.157 ± 0.002 Å
• c: 25.52 ± 0.003 Å
• α: 90°
• β: 94.72 ± 0.01°
• γ: 90°
• Cell volume: 3488.3 ± 1 ų
• Cell temperature: 298 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for significantly intense reflections: 0.044
• Weighted residual factors for significantly intense reflections: 0.05
• Goodness-of-fit parameter for significantly intense reflections: 1.38
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No