Information card for entry 4500962

Structure parameters

• Formula: C14 H8 Cl2 F4 Hg2 O2
• Calculated formula: C14 H8 Cl2 F4 Hg2 O2
• SMILES: [Hg](Cl)c1c([Hg]Cl)c(F)c(F)c(F)c1F.O=C(OC)c1ccccc1
• Title of publication: Crystal Morphology as an Evidence of Supramolecular Organization in Adducts of 1,2-Bis(chloromercurio)tetrafluorobenzene with Organic Esters
• Authors of publication: Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Masunov, Artem; Timofeeva, Tatiana V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2011
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 3964
• a: 16.4902 ± 0.0018 Å
• b: 15.8412 ± 0.0017 Å
• c: 6.7903 ± 0.0007 Å
• α: 90°
• β: 111.642 ± 0.001°
• γ: 90°
• Cell volume: 1648.8 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0291
• Residual factor for significantly intense reflections: 0.0261
• Weighted residual factors for significantly intense reflections: 0.0558
• Weighted residual factors for all reflections included in the refinement: 0.0571
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No