Information card for entry 7009827

Structure parameters

• Formula: C90 H77 F12 Hg O P7 Pt2 S2
• Calculated formula: C90 H76.5 F11 Hg O P7 Pt2 S2
• Title of publication: Formation and structural relationship of electroactive PtII‒HgII polymetallic sulfide aggregates
• Authors of publication: Li, Zhaohui; Xu, Xingling; Khoo, Soo Beng; Mok, K. F.; Hor, T. S. Andy
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 17
• Pages of publication: 2901
• a: 18.1038 ± 0.0003 Å
• b: 27.8444 ± 0.0001 Å
• c: 20.9295 ± 0.0003 Å
• α: 90°
• β: 92.466 ± 0.001°
• γ: 90°
• Cell volume: 10540.6 ± 0.2 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0837
• Residual factor for significantly intense reflections: 0.052
• Weighted residual factors for significantly intense reflections: 0.1534
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.121
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No