Information card for entry 2222360

Structure parameters

• Chemical name: (2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline- κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II)
• Formula: C28 H20 Hg N4 S2
• Calculated formula: C28 H20 Hg N4 S2
• SMILES: [Hg]1(SC#N)(SC#N)[n]2c(C)cc(c3ccccc3)c3ccc4c(c5ccccc5)cc([n]1c4c23)C
• Title of publication: (2,9-Dimethyl-4,7-diphenyl-1,10-phenanthroline-κ^2^<i>N</i>,<i>N</i>')bis(thiocyanato-κ<i>S</i>)mercury(II)
• Authors of publication: Alizadeh, Robabeh
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2009
• Journal volume: 65
• Journal issue: 7
• Pages of publication: m817 - m818
• a: 7.5907 ± 0.0003 Å
• b: 24.0254 ± 0.001 Å
• c: 28.5284 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5202.7 ± 0.4 ų
• Cell temperature: 298 ± 2 K
• Ambient diffraction temperature: 298 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P c a n
• Hall space group symbol: -P 2n 2c
• Residual factor for all reflections: 0.1556
• Residual factor for significantly intense reflections: 0.093
• Weighted residual factors for significantly intense reflections: 0.1743
• Weighted residual factors for all reflections included in the refinement: 0.1987
• Goodness-of-fit parameter for all reflections included in the refinement: 1.213
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes