Information card for entry 2017836

Structure parameters

• Formula: C6 H24 Cu N6 O4 S
• Calculated formula: C6 H24 Cu N6 O4 S
• SMILES: [Cu]123([NH2]CC[NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.S(=O)(=O)([O-])[O-]
• Title of publication: Twinned low-temperature structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate
• Authors of publication: Lutz, Martin
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 2010
• Journal volume: 66
• Journal issue: 11
• Pages of publication: m330 - m335
• a: 8.8749 ± 0.0007 Å
• b: 17.6358 ± 0.0011 Å
• c: 19.1559 ± 0.0011 Å
• α: 89.582 ± 0.003°
• β: 90.296 ± 0.005°
• γ: 119.845 ± 0.004°
• Cell volume: 2600.5 ± 0.3 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: A -1
• Hall space group symbol: -P 1 (-x,-1/2*y+1/2*z,1/2*y+1/2*z)
• Residual factor for all reflections: 0.0548
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0669
• Weighted residual factors for all reflections included in the refinement: 0.0757
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes