Information card for entry 8102384

Structure parameters

• Formula: C36 H50 O24 S2 Zn
• Calculated formula: C36 H50 O24 S2 Zn
• Title of publication: Crystal structure of hexaaquazinc(II) bis(monoethoxy-formononetin-3'-sulfonate) tetrahydrate, [Zn(H2O)6](C18H15O4SO3)2 · 4H2O
• Authors of publication: Qiu-Ya Wang
• Journal of publication: Zeitschrift für Kristallographie - New Crystal Structures
• Year of publication: 2009
• Journal volume: 224
• Journal issue: 1
• Pages of publication: 71
• a: 7.2404 ± 0.0015 Å
• b: 8.5926 ± 0.0019 Å
• c: 17.276 ± 0.004 Å
• α: 80.788 ± 0.004°
• β: 82.971 ± 0.003°
• γ: 81.219 ± 0.003°
• Cell volume: 1043.2 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0807
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.2274
• Weighted residual factors for all reflections included in the refinement: 0.248
• Goodness-of-fit parameter for all reflections included in the refinement: 0.982
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No