Information card for entry 2239889

Structure parameters

• Chemical name: (<i>N</i>^1^-Benzyl-<i>N</i>^1^,<i>N</i>^2^,<i>N</i>^2^-trimethylethane-1,2-diamine-κ^2^<i>N</i>,<i>N</i>')dichloridomercury(II)
• Formula: C12 H20 Cl2 Hg N2
• Calculated formula: C12 H20 Cl2 Hg N2
• SMILES: [Hg]1(Cl)(Cl)[N](Cc2ccccc2)(CC[N]1(C)C)C
• Title of publication: Crystal structure of (N1-benzyl-N1,N2,N2-trimethylethane-1,2-diamine-κ2N,N′)dichloridomercury(II)
• Authors of publication: Manjare, Sudesh T.; Singh, Harkesh B.; Butcher, Ray J.
• Journal of publication: Acta Crystallographica Section E Structure Reports Online
• Year of publication: 2014
• Journal volume: 70
• Journal issue: 9
• Pages of publication: 118
• a: 9.0839 ± 0.0003 Å
• b: 15.5367 ± 0.0006 Å
• c: 11.3161 ± 0.0005 Å
• α: 90°
• β: 104.324 ± 0.004°
• γ: 90°
• Cell volume: 1547.43 ± 0.11 ų
• Cell temperature: 200 ± 2 K
• Ambient diffraction temperature: 200 ± 2 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0906
• Residual factor for significantly intense reflections: 0.0439
• Weighted residual factors for significantly intense reflections: 0.0632
• Weighted residual factors for all reflections included in the refinement: 0.0737
• Goodness-of-fit parameter for all reflections included in the refinement: 0.962
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes