Information card for entry 7201028

Structure parameters

• Formula: C5 H4 Hg N3 S2
• Calculated formula: C5 H4 Hg N3 S2
• Title of publication: Mercury(II) metal‒organic coordination polymers with pyrazine derivatives
• Authors of publication: Mahmoudi, Ghodrat; Morsali, Ali
• Journal of publication: CrystEngComm
• Year of publication: 2009
• Journal volume: 11
• Journal issue: 9
• Pages of publication: 1868
• a: 15.295 ± 0.003 Å
• b: 11.035 ± 0.002 Å
• c: 11.151 ± 0.002 Å
• α: 90°
• β: 115.25 ± 0.003°
• γ: 90°
• Cell volume: 1702.2 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0727
• Residual factor for significantly intense reflections: 0.0623
• Weighted residual factors for significantly intense reflections: 0.1559
• Weighted residual factors for all reflections included in the refinement: 0.1643
• Goodness-of-fit parameter for all reflections included in the refinement: 1.046
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No