Information card for entry 2104888

Structure parameters

• Formula: C6 H24 Cu N6 O4 S
• Calculated formula: C6 H24 Cu N6 O3.99996 S
• Title of publication: Temperature-dependent analysis of thermal motion, disorder and structures of tris(ethylenediamine)zinc(II) sulfate and tris(ethylenediamine)copper(II) sulfate
• Authors of publication: Smeets, Stef; Parois, Pascal; Bürgi, Hans-Beat; Lutz, Martin
• Journal of publication: Acta Crystallographica Section B
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 1
• Pages of publication: 53 - 62
• a: 8.9513 ± 0.0001 Å
• b: 8.9513 ± 0.0001 Å
• c: 9.5876 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 665.293 ± 0.013 ų
• Cell temperature: 230 ± 2 K
• Ambient diffraction temperature: 230 ± 2 K
• Number of distinct elements: 6
• Space group number: 163
• Hermann-Mauguin space group symbol: P -3 1 c
• Hall space group symbol: -P 3 2c
• Residual factor for all reflections: 0.0255
• Residual factor for significantly intense reflections: 0.0233
• Weighted residual factors for significantly intense reflections: 0.0591
• Weighted residual factors for all reflections included in the refinement: 0.0603
• Goodness-of-fit parameter for all reflections included in the refinement: 1.115
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes