Information card for entry 7706009

Structure parameters

• Formula: C15 H11 Hg I N2 O2 S
• Calculated formula: C15 H11 Hg I N2 O2 S
• Title of publication: On the importance of π-hole spodium bonding in tricoordinated Hg^II complexes.
• Authors of publication: Mahmoudi, Ghodrat; Masoudiasl, Ardavan; Babashkina, Maria G.; Frontera, Antonio; Doert, Thomas; White, Jonathan M.; Zangrando, Ennio; Zubkov, Fedor I.; Safin, Damir A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2020
• Journal volume: 49
• Journal issue: 48
• Pages of publication: 17547 - 17551
• a: 27.761 ± 0.003 Å
• b: 3.9611 ± 0.0005 Å
• c: 15.6659 ± 0.0016 Å
• α: 90°
• β: 111.098 ± 0.004°
• γ: 90°
• Cell volume: 1607.2 ± 0.3 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 7
• Space group number: 9
• Hermann-Mauguin space group symbol: C 1 c 1
• Hall space group symbol: C -2yc
• Residual factor for all reflections: 0.0889
• Residual factor for significantly intense reflections: 0.0506
• Weighted residual factors for significantly intense reflections: 0.0781
• Weighted residual factors for all reflections included in the refinement: 0.0886
• Goodness-of-fit parameter for all reflections included in the refinement: 0.915
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No