Information card for entry 2001816

Structure parameters

• Formula: C13 H21 Cu N5 O2 S
• Calculated formula: C14 H19 Cu N5 O2 S
• Title of publication: Structure of [3,10-dimethyl-4,9-diaza-3,9-dodecadiene-2,11-dione dioximato(1‒)](isothiocyanato)copper(II)
• Authors of publication: Tahirov, T. H.; Lu, T.-H.; Luh, H.; Chung, C.-S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 4
• Pages of publication: 801 - 803
• a: 7.5322 ± 0.0007 Å
• b: 12.652 ± 0.002 Å
• c: 17.985 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1713.9 ± 0.5 ų
• Cell temperature: 298 ± 3 K
• Number of distinct elements: 6
• Hermann-Mauguin space group symbol: P n 21 a
• Hall space group symbol: P -2ac -2n
• Residual factor for significantly intense reflections: 0.034
• Weighted residual factors for significantly intense reflections: 0.036
• Goodness-of-fit parameter for significantly intense reflections: 1.2
• Diffraction radiation wavelength: 0.7093 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No