Information card for entry 2231058

Structure parameters

• Chemical name: Poly[(μ-2-acetoxybenzoato)(2-acetoxybenzoato)-μ-aqua-mercury(II)]
• Formula: C36 H32 Hg2 O18
• Calculated formula: C36 H32 Hg2 O18
• SMILES: C(=O)(c1ccccc1OC(=O)C)O[Hg]1(OC(=O)c2ccccc2OC(=O)C)[OH2][Hg](OC(=O)c2ccccc2OC(=O)C)(OC(=O)c2ccccc2OC(=O)C)[OH2]1
• Title of publication: Poly[(μ-2-acetoxybenzoato)(2-acetoxybenzoato)-μ-aqua-mercury(II)]
• Authors of publication: PrakashaReddy, J.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 8
• Pages of publication: m1151
• a: 6.1851 ± 0.0009 Å
• b: 10.1359 ± 0.0017 Å
• c: 15.453 ± 0.002 Å
• α: 100.308 ± 0.007°
• β: 98.7 ± 0.008°
• γ: 100.667 ± 0.007°
• Cell volume: 919.5 ± 0.2 ų
• Cell temperature: 120 K
• Ambient diffraction temperature: 120 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0543
• Residual factor for significantly intense reflections: 0.04
• Weighted residual factors for all reflections: 0.0924
• Weighted residual factors for significantly intense reflections: 0.0809
• Weighted residual factors for all reflections included in the refinement: 0.0924
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9668
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes