Information card for entry 2009829

Structure parameters

• Formula: C12 H22 Cu N6 O2 S2
• Calculated formula: C13 H22 Cu N6 O2 S5
• Title of publication: (4,7-Dimethyl-4,7-diazadecanediamide)diisothiocyanatocopper(II)
• Authors of publication: Lin, J.-L.; Lu, T.-H.; Tahirov, T. H.; Liu, Y.-L.; Chi, T.-Y.; Chung, C.-S.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1994
• Journal volume: 50
• Journal issue: 7
• Pages of publication: 1003 - 1005
• a: 16.98 ± 0.005 Å
• b: 15.16 ± 0.004 Å
• c: 14.3 ± 0.01 Å
• α: 90°
• β: 93.48 ± 0.04°
• γ: 90°
• Cell volume: 3674 ± 3 ų
• Cell temperature: 298 ± 3 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for significantly intense reflections: 0.056
• Goodness-of-fit parameter for significantly intense reflections: 1.09
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No