Information card for entry 7034672

Structure parameters

• Formula: C97.4 H81.4 Ag3 Cl0.6 Hg2 P3 S7
• Calculated formula: C97.4 H81.4 Ag3 Cl0.6 Hg2 P3 S7
• Title of publication: Geometrically unprecedented 3-, 5- and 7-membered Hg(ii)-Cu(i) and Hg(ii)-Ag(i) thiolate clusters: precursors to intermetallics.
• Authors of publication: Gupta, Geetika; Chaturvedi, Jyotsna; Bhattacharya, Subrato
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 19
• Pages of publication: 8932 - 8937
• a: 17.0142 ± 0.0014 Å
• b: 17.3392 ± 0.0015 Å
• c: 20.1081 ± 0.0014 Å
• α: 68.901 ± 0.007°
• β: 71.772 ± 0.007°
• γ: 61 ± 0.009°
• Cell volume: 4770.5 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.1319
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for significantly intense reflections: 0.1546
• Weighted residual factors for all reflections included in the refinement: 0.1686
• Goodness-of-fit parameter for all reflections included in the refinement: 0.882
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No