Information card for entry 2201161

Structure parameters

• Chemical name: Bis(diethylenetriamine)mercury(II) thiocyanate
• Formula: C10 H26 Hg N8 S2
• Calculated formula: C10 H26 Hg N8 S2
• SMILES: C1C[NH]2CC[NH2][Hg]342([NH2]1)[NH2]CC[NH]3CC[NH2]4.C(#N)[S-].C(#N)[S-]
• Title of publication: Bis(diethylenetriamine)mercury(II) bis(thiocyanate)
• Authors of publication: M. Linh Tran; Paul V. Bernhardt; Ian R. Gentle
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2002
• Journal volume: 58
• Journal issue: 4
• Pages of publication: m150 - m151
• a: 7.671 ± 0.0007 Å
• b: 13.9712 ± 0.0006 Å
• c: 16.639 ± 0.002 Å
• α: 90°
• β: 93.809 ± 0.009°
• γ: 90°
• Cell volume: 1779.3 ± 0.3 ų
• Cell temperature: 130 ± 2 K
• Ambient diffraction temperature: 130 ± 2 K
• Number of distinct elements: 5
• 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: 0.0213
• Residual factor for significantly intense reflections: 0.0192
• Weighted residual factors for significantly intense reflections: 0.0483
• Weighted residual factors for all reflections included in the refinement: 0.0491
• Goodness-of-fit parameter for all reflections included in the refinement: 1.069
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: Yes