Information card for entry 2236681

Structure parameters

• Common name: 2,9-DM-1,10-phen.Hg(SCN)2
• Chemical name: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato- κ<i>S</i>)mercury(II)
• Formula: C16 H12 Hg N4 S2
• Calculated formula: C16 H12 Hg N4 S2
• SMILES: [Hg]1(SC#N)(SC#N)[n]2c3c4[n]1c(ccc4ccc3ccc2C)C
• Title of publication: (2,9-Dimethyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II)
• Authors of publication: Warad, Ismail; Hadda, Taibi Ben; Hammouti, Belkheir; Haddad, Salim F.
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2012
• Journal volume: 68
• Journal issue: 10
• Pages of publication: m1259
• a: 8.1593 ± 0.0004 Å
• b: 11.2985 ± 0.0005 Å
• c: 18.9456 ± 0.0009 Å
• α: 77.205 ± 0.004°
• β: 84.015 ± 0.004°
• γ: 89.802 ± 0.004°
• Cell volume: 1693.55 ± 0.14 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.045
• Residual factor for significantly intense reflections: 0.0325
• Weighted residual factors for significantly intense reflections: 0.0606
• Weighted residual factors for all reflections included in the refinement: 0.0657
• Goodness-of-fit parameter for all reflections included in the refinement: 1.017
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes