Information card for entry 2017835

Structure parameters

• Formula: C6 H24 N6 O4 S Zn
• Calculated formula: C6 H24 N6 O4 S Zn
• SMILES: C1C[NH2][Zn]23([NH2]1)([NH2]CC[NH2]2)[NH2]CC[NH2]3.O=S(=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: 8.8941 ± 0.00011 Å
• b: 8.8941 ± 0.00011 Å
• c: 9.68482 ± 0.00013 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 663.478 ± 0.015 ų
• Cell temperature: 110 ± 2 K
• Ambient diffraction temperature: 110 ± 2 K
• Number of distinct elements: 6
• Space group number: 147
• Hermann-Mauguin space group symbol: P -3
• Hall space group symbol: -P 3
• Residual factor for all reflections: 0.0157
• Residual factor for significantly intense reflections: 0.0153
• Weighted residual factors for significantly intense reflections: 0.0374
• Weighted residual factors for all reflections included in the refinement: 0.0375
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes