Information card for entry 7201031

Structure parameters

• Formula: C8 H8 Hg N4 S2
• Calculated formula: C8 H8 Hg N4 S2
• SMILES: C(#N)S[Hg]([n]1cc(C)nc(c1)C)SC#N
• 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: 12.8459 ± 0.0012 Å
• b: 21.18 ± 0.002 Å
• c: 8.3837 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 2281 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0192
• Residual factor for significantly intense reflections: 0.0181
• Weighted residual factors for significantly intense reflections: 0.0396
• Weighted residual factors for all reflections included in the refinement: 0.0403
• Goodness-of-fit parameter for all reflections included in the refinement: 0.914
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No