Information card for entry 4081815

Structure parameters

• Formula: C12 H8 Cl2 Hg2
• Calculated formula: C12 H8 Cl2 Hg2
• SMILES: [Hg](Cl)c1c(cccc1)c1c([Hg]Cl)cccc1
• Title of publication: High-Temperature Reactivity of the Strongly Electrophilic Pristine 9H-9-Borafluorene
• Authors of publication: Hübner, Alexander; Diehl, Andreas M.; Bolte, Michael; Lerner, Hans-Wolfram; Wagner, Matthias
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 22
• Pages of publication: 6827
• a: 8.8981 ± 0.0006 Å
• b: 15.4306 ± 0.0013 Å
• c: 9.9574 ± 0.0007 Å
• α: 90°
• β: 105.385 ± 0.005°
• γ: 90°
• Cell volume: 1318.19 ± 0.17 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.058
• Residual factor for significantly intense reflections: 0.0411
• Weighted residual factors for significantly intense reflections: 0.092
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 0.909
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No