Information card for entry 2013711

Structure parameters

• Formula: C4 H16 Cu N4 O6 S2
• Calculated formula: C4 H16 Cu N4 O6 S2
• SMILES: C1[NH2][Cu]2([NH2]CC[NH2]2)[NH2]C1.[O-]S(=O)(=O)S(=O)(=O)[O-]
• Title of publication: <i>catena</i>-Poly[[<i>trans</i>-bis(ethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II)]-μ-dithionato-κ^2^<i>O</i>:<i>O</i>'] and <i>trans</i>-diaquabis(propane-1,3-diamine-κ^2^<i>N</i>,<i>N</i>')copper(II) dithionate
• Authors of publication: Kim, Yang; Skelton, Brian W.; White, Allan H.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 12
• Pages of publication: m546 - m548
• a: 8.4727 ± 0.001 Å
• b: 10.2699 ± 0.001 Å
• c: 8.0696 ± 0.001 Å
• α: 90°
• β: 116.17 ± 0.002°
• γ: 90°
• Cell volume: 630.19 ± 0.12 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.027
• Residual factor for significantly intense reflections: 0.023
• Weighted residual factors for all reflections: 0.032
• Weighted residual factors for all reflections included in the refinement: 0.031
• Goodness-of-fit parameter for all reflections: 1.067
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes