Information card for entry 2004390

Structure parameters

• Chemical name: catena-[Aqua2(2-aminopyrimidine)-μ-o,o~,~ -copper(II)] dihydrate
• Formula: C8 H16 Cu N6 O7 S
• Calculated formula: C8 H16 Cu N6 O7 S
• Title of publication: Di-μ-sulfato-<i>O</i>:<i>O</i>'-bis[(2-aminopyrimidine-<i>N</i>^1^)triaquacobalt(II)] Dihydrate (1), <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)diaquanickel(II)-μ-sulfato-<i>O</i>:<i>O</i>' 2-Aminopyrimidine] (2), (2-Aminopyrimidine-<i>N</i>^1^)pentaaquanickel(II) Sulfate 2-Aminopyrimidine (3) and <i>catena</i>-Poly[bis(2-aminopyrimidine-<i>N</i>^1^)aquacopper(ii)-μ-sulfato-<i>O</i>:<i>O</i>' Dihydrate] (4)
• Authors of publication: Lumme, P. O.; Knuuttila, H.; Lindell, E.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1996
• Journal volume: 52
• Journal issue: 1
• Pages of publication: 51 - 56
• a: 4.927 ± 0.002 Å
• b: 19.119 ± 0.009 Å
• c: 7.93 ± 0.004 Å
• α: 90°
• β: 94.77 ± 0.03°
• γ: 90°
• Cell volume: 744.4 ± 0.6 ų
• Cell temperature: 295 ± 1 K
• Ambient diffraction temperature: 295 ± 1 K
• Number of distinct elements: 6
• Space group number: 11
• Hermann-Mauguin space group symbol: P 1 21/m 1
• Hall space group symbol: -P 2yb
• Residual factor for all reflections: 0.065
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.042
• Weighted residual factors for significantly intense reflections: 0.035
• Goodness-of-fit parameter for all reflections: 1.742
• Goodness-of-fit parameter for significantly intense reflections: 2.06
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No