Information card for entry 2215051

Structure parameters

• Chemical name: (1,3-Propanediamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)\ copper(II)
• Formula: C5 H10 Cu N4 S2
• Calculated formula: C5 H10 Cu N4 S2
• Title of publication: (1,3-Propanediamine-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>N</i>)copper(II)
• Authors of publication: Zhong-Lu You; Seik Weng Ng
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2007
• Journal volume: 63
• Journal issue: 9
• Pages of publication: m2347 - m2347
• a: 5.9505 ± 0.0017 Å
• b: 20.478 ± 0.006 Å
• c: 8.475 ± 0.002 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1032.7 ± 0.5 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 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: 0.0236
• Residual factor for significantly intense reflections: 0.0231
• Weighted residual factors for significantly intense reflections: 0.0653
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.04
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: Yes