Information card for entry 4087566

Structure parameters

• Common name: dpg34
• Formula: C44 H44 Ag B F4 Hg O2 P2
• Calculated formula: C44 H44 Ag B F4 Hg O2 P2
• Title of publication: Study of the Nature of Closed-Shell HgII···MI (M = Cu, Ag, Au) Interactions
• Authors of publication: López-de-Luzuriaga, José M.; Monge, Miguel; Olmos, M. Elena; Pascual, David
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 12
• Pages of publication: 3029
• a: 13.2172 ± 0.0002 Å
• b: 21.999 ± 0.0004 Å
• c: 14.0249 ± 0.0002 Å
• α: 90°
• β: 90.79 ± 0.001°
• γ: 90°
• Cell volume: 4077.56 ± 0.11 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 8
• 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: 0.0273
• Residual factor for significantly intense reflections: 0.025
• Weighted residual factors for significantly intense reflections: 0.0631
• Weighted residual factors for all reflections included in the refinement: 0.0644
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No