Information card for entry 7250100

Structure parameters

• Formula: C6 Hg2 K2 N6 S2
• Calculated formula: C6 Hg2 K2 N6 S2
• Title of publication: Thermal and pressure response of KHg(CN)₂(SCN).
• Authors of publication: Jain, Aashna; Ghalsasi, Pallavi; Tothadi, Srinu; Garg, Nandini; Garg, Alka B.; Jha, Prafulla K.; Mande, Hemant; Ghalsasi, Prasanna S.
• Journal of publication: Physical chemistry chemical physics : PCCP
• Year of publication: 2025
• a: 4.2576 ± 0.0003 Å
• b: 19.0419 ± 0.0012 Å
• c: 9.1464 ± 0.0007 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 741.52 ± 0.09 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 5
• Space group number: 63
• Hermann-Mauguin space group symbol: C m c m
• Hall space group symbol: -C 2c 2
• Residual factor for all reflections: 0.0581
• Residual factor for significantly intense reflections: 0.0313
• Weighted residual factors for significantly intense reflections: 0.0829
• Weighted residual factors for all reflections included in the refinement: 0.1187
• Goodness-of-fit parameter for all reflections included in the refinement: 1.216
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No