Information card for entry 7231737

Structure parameters

• Formula: C15 H12 Hg N6 O S2
• Calculated formula: C15 H12 Hg N6 O S2
• Title of publication: Modulation of coordination in pincer-type isonicotinohydrazone Schiff base ligands by proton transfer
• Authors of publication: Mahmoudi, Ghodrat; Khandar, Ali Akbar; Afkhami, Farhad Akbari; Miroslaw, Barbara; Gurbanov, Atash V.; Zubkov, Fedor I.; Kennedy, Alan; Franconetti, Antonio; Frontera, Antonio
• Journal of publication: CrystEngComm
• Year of publication: 2019
• Journal volume: 21
• Journal issue: 1
• Pages of publication: 108
• a: 12.9176 ± 0.0003 Å
• b: 7.7756 ± 0.0002 Å
• c: 17.4321 ± 0.0004 Å
• α: 90°
• β: 93.026 ± 0.001°
• γ: 90°
• Cell volume: 1748.48 ± 0.07 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• 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: 0.046
• Residual factor for significantly intense reflections: 0.0256
• Weighted residual factors for significantly intense reflections: 0.0441
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9895
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No