Information card for entry 8105025

Structure parameters

• Chemical name: Magnesium (II) 4-[[(4-dimethylamino)phenyl]-azo]benzenesulfonate hexahydrate
• Formula: C28 H40 Mg N6 O12 S2
• Calculated formula: C28 H40 Mg N6 O12 S2
• Title of publication: Crystal structure of hexaaquamagnesium(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MgN6O12S2
• Authors of publication: Park, Garam; Oh, In-Hwan; Park, Seong-Hun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2019
• Journal volume: 235
• Journal issue: 1
• Pages of publication: 85 - 86
• a: 6.1988 ± 0.0003 Å
• b: 7.1103 ± 0.0004 Å
• c: 38.7135 ± 0.0004 Å
• α: 90°
• β: 91.519 ± 0.003°
• γ: 90°
• Cell volume: 1705.71 ± 0.13 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0884
• Residual factor for significantly intense reflections: 0.036
• Weighted residual factors for significantly intense reflections: 0.0612
• Weighted residual factors for all reflections included in the refinement: 0.0755
• Goodness-of-fit parameter for significantly intense reflections: 1.39
• Goodness-of-fit parameter for all reflections included in the refinement: 1.27
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No