Information card for entry 2013712

Structure parameters

• Formula: C6 H24 Cu N4 O8 S2
• Calculated formula: C6 H24 Cu N4 O8 S2
• SMILES: [OH2][Cu]12([OH2])([NH2]CCC[NH2]2)[NH2]CCC[NH2]1.[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: 15.5 ± 0.002 Å
• b: 7.098 ± 0.001 Å
• c: 7.224 ± 0.001 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 794.78 ± 0.19 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 58
• Hermann-Mauguin space group symbol: P n n m
• Hall space group symbol: -P 2 2n
• Residual factor for all reflections: 0.039
• Residual factor for significantly intense reflections: 0.035
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for all reflections included in the refinement: 0.041
• Goodness-of-fit parameter for all reflections: 1.178
• Goodness-of-fit parameter for all reflections included in the refinement: 1.206
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes