Information card for entry 1561334

Structure parameters

• Formula: C12 H12 Hg2 O6 P2
• Calculated formula: C12 H10 Hg2 O6 P2
• SMILES: [Hg](OP(=O)(O)c1ccccc1)[Hg]OP(=O)(O)c1ccccc1
• Title of publication: Synthetic and structural investigations of mercurous and mercuric organophosphonates and phenylarsonates
• Authors of publication: Padalwar, Nitin Balkrushna; Vidyasagar, Kanamaluru
• Journal of publication: Journal of Solid State Chemistry
• Year of publication: 2016
• Journal volume: 243
• Pages of publication: 83 - 94
• a: 35.13 ± 0.003 Å
• b: 5.5269 ± 0.0004 Å
• c: 7.8852 ± 0.0006 Å
• α: 90°
• β: 95.245 ± 0.007°
• γ: 90°
• Cell volume: 1524.6 ± 0.2 ų
• Cell temperature: 273 ± 2 K
• Ambient diffraction temperature: 273 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0653
• Residual factor for significantly intense reflections: 0.0511
• Weighted residual factors for significantly intense reflections: 0.1504
• Weighted residual factors for all reflections included in the refinement: 0.1659
• Goodness-of-fit parameter for all reflections included in the refinement: 1.052
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No