Information card for entry 4304539

Structure parameters

• Chemical name: (NEt4)2[Hg(bdt)2]-3/4(CH3CN)-H2O
• Formula: C29.5 H52.25 Hg N2.75 O S4
• Calculated formula: C29.5 H50.25 Hg N2.75 O S4
• Title of publication: Zinc, Cadmium, and Mercury 1,2-Benzenedithiolates with Intramolecular NH...S Hydrogen Bonds
• Authors of publication: Koji Baba; Taka-aki Okamura; Hitoshi Yamamoto; Tetsuo Yamamoto; Norikazu Ueyama
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 2837 - 2848
• a: 17.0547 ± 0.0007 Å
• b: 17.6005 ± 0.0006 Å
• c: 14.0856 ± 0.0006 Å
• α: 98.064 ± 0.002°
• β: 112.208 ± 0.002°
• γ: 97.144 ± 0.001°
• Cell volume: 3802.5 ± 0.3 ų
• Cell temperature: 200 K
• Ambient diffraction temperature: 200 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1022
• Residual factor for significantly intense reflections: 0.0569
• Weighted residual factors for significantly intense reflections: 0.1481
• Weighted residual factors for all reflections included in the refinement: 0.1629
• Goodness-of-fit parameter for all reflections included in the refinement: 1.054
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No