Information card for entry 8106877

Structure parameters

• Chemical name: hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl) benzenesulfonate)
• Formula: C28 H40 Mn N6 O12 S2
• Calculated formula: C28 H40 Mn N6 O12 S2
• Title of publication: Crystal structure of hexaaquamanganese(II) bis((E)-4-((4-(dimethylamino)phenyl)diazenyl)benzenesulfonate), C28H40MnN6O12S2
• Authors of publication: Oh, In-Hwan; Kim, Jee Yeon; Park, Seong-Hun
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2016
• Journal volume: 231
• Journal issue: 2
• Pages of publication: 369 - 371
• a: 6.211 ± 0.005 Å
• b: 7.146 ± 0.005 Å
• c: 38.895 ± 0.005 Å
• α: 90 ± 0.005°
• β: 91.283 ± 0.005°
• γ: 90 ± 0.005°
• Cell volume: 1725.9 ± 1.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 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: 0.1585
• Residual factor for significantly intense reflections: 0.0639
• Weighted residual factors for significantly intense reflections: 0.1094
• Weighted residual factors for all reflections included in the refinement: 0.1307
• Goodness-of-fit parameter for all reflections included in the refinement: 1.029
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No