Information card for entry 2007516

Structure parameters

• Formula: C6 H13 N5 S2 Zn
• Calculated formula: C6 H13 N5 S2 Zn
• Title of publication: (Diethylenetriamine)bis(isothiocyanato)zinc(II)
• Authors of publication: Lu, Tian-Huey; Lo, Jem-Mau; Chen, Bor-Hann; Yeh, Mou-Yung; Tung, Shu-Fang; Huang, Wen-Tao; Yao, Hsueh-Hua
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1998
• Journal volume: 54
• Journal issue: 8
• Pages of publication: 1067 - 1068
• a: 8.6388 ± 0.0008 Å
• b: 12.9233 ± 0.0011 Å
• c: 11.13 ± 0.0013 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1242.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 36
• Hermann-Mauguin space group symbol: C m c 21
• Hall space group symbol: C 2c -2
• Residual factor for all reflections: 0.055
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.098
• Weighted residual factors for significantly intense reflections: 0.095
• Goodness-of-fit parameter for all reflections: 1.071
• Goodness-of-fit parameter for significantly intense reflections: 1.173
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes