Information card for entry 2229698

Structure parameters

• Chemical name: (4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)mercury(II)
• Formula: C13 H6 Hg N4 O S2
• Calculated formula: C13 H6 Hg N4 O S2
• SMILES: c12c3C(=O)c4c2[n]([Hg]([n]1ccc3)(SC#N)SC#N)ccc4
• Title of publication: (4,5-Diazafluoren-9-one-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II)
• Authors of publication: Notash, Behrouz; Safari, Nasser; Amani, Vahid
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2011
• Journal volume: 67
• Journal issue: 4
• Pages of publication: m418
• a: 10.57 ± 0.002 Å
• b: 16.112 ± 0.003 Å
• c: 8.339 ± 0.0017 Å
• α: 90°
• β: 94.35 ± 0.03°
• γ: 90°
• Cell volume: 1416.1 ± 0.5 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 6
• 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: 0.0521
• Residual factor for significantly intense reflections: 0.0481
• Weighted residual factors for significantly intense reflections: 0.1155
• Weighted residual factors for all reflections included in the refinement: 0.1182
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes