Information card for entry 4509017

Structure parameters

• Formula: C12 H5 Cl2 F4 Hg2 N O2
• Calculated formula: C12 H5 Cl2 F4 Hg2 N O2
• SMILES: [Hg](Cl)c1c([Hg]Cl)c(F)c(F)c(F)c1F.N(=O)(=O)c1ccccc1
• Title of publication: Preparation and Crystallography of 1,2-Bis(chloromercurio)tetrafluorobenzene Adducts with Nitrobenzene and Nitrotoluenes
• Authors of publication: Yakovenko, Andrey A.; Gallegos, Jose H.; Antipin, Mikhail Yu.; Timofeeva, Tatiana V.
• Journal of publication: Crystal Growth & Design
• Year of publication: 2009
• Journal volume: 9
• Journal issue: 1
• Pages of publication: 66
• a: 7.127 ± 0.003 Å
• b: 7.181 ± 0.003 Å
• c: 15.042 ± 0.007 Å
• α: 90°
• β: 99.976 ± 0.008°
• γ: 90°
• Cell volume: 758.2 ± 0.6 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.043
• Residual factor for significantly intense reflections: 0.0392
• Weighted residual factors for significantly intense reflections: 0.0877
• Weighted residual factors for all reflections included in the refinement: 0.0898
• Goodness-of-fit parameter for all reflections included in the refinement: 0.999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No