Information card for entry 2001209

Structure parameters

• Formula: C5 H7 Cl Hg O2
• Calculated formula: C2.5 H3.5 Cl0.5 Hg0.5 O
• Title of publication: Structure d'un produit de mercuration de la 2,4-pentanedione, Hg(C~5~H~7~O~2~)Cl
• Authors of publication: Toledano, P.; Bonhomme, C.; Henry, M.; Livage, J.
• Journal of publication: Acta Crystallographica Section C
• Year of publication: 1993
• Journal volume: 49
• Journal issue: 11
• Pages of publication: 1916 - 1918
• a: 7.584 ± 0.002 Å
• b: 12.171 ± 0.004 Å
• c: 8.293 ± 0.002 Å
• α: 90°
• β: 106.06 ± 0.02°
• γ: 90°
• Cell volume: 735.6 ± 0.4 ų
• Cell temperature: 293 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for significantly intense reflections: 0.051
• Weighted residual factors for significantly intense reflections: 0.0601
• Goodness-of-fit parameter for significantly intense reflections: 3.75
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKᾱ
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No