Information card for entry 7242279

Structure parameters

• Formula: C14 H16 Fe Hg I N O S2
• Calculated formula: C14 H16 Fe Hg I N O S2
• Title of publication: Ferrocene decorated unusual mercury(ii) dithiocarbamate coordination polymers: crystallographic and computational studies
• Authors of publication: Singh, Amita; Singh, Ayushi; Singh, Suryabhan; Kociok-Köhn, Gabriele; Muddassir, Mohd.; Kumar, Abhinav
• Journal of publication: CrystEngComm
• Year of publication: 2021
• Journal volume: 23
• Journal issue: 12
• Pages of publication: 2414 - 2423
• a: 11.8081 ± 0.0002 Å
• b: 7.406 ± 0.0001 Å
• c: 19.7888 ± 0.0003 Å
• α: 90°
• β: 97.731 ± 0.002°
• γ: 90°
• Cell volume: 1714.82 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 0.1 K
• Number of distinct elements: 8
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0504
• Residual factor for significantly intense reflections: 0.0471
• Weighted residual factors for significantly intense reflections: 0.1349
• Weighted residual factors for all reflections included in the refinement: 0.1378
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No