Information card for entry 7012671

Structure parameters

• Formula: C17 H24 Cl2 Hg N8 O8
• Calculated formula: C17 H24 Cl2 Hg N8 O8.01
• Title of publication: Investigation of the mercury(ii) coordination chemistry of tris[(1-methylimidazol-2-yl)methyl]amine by X-ray crystallography and NMRElectronic supplementary information (ESI) available: Cell packing diagrams for 1?3 and NMR figures showing trends in chemical shift as a function of [Hg(ii)]/1 for both Hg(ClO4)2 and HgCl2. See http://www.rsc.org/suppdata/dt/b3/b300001j/
• Authors of publication: Bebout, Deborah C.; Garland, Melissa M.; Murphy, Geoffrey S.; Bowers, Edith V.; Abelt, Christopher J.; Butcher, Raymond J.
• Journal of publication: Dalton Transactions
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 2578
• a: 12.3849 ± 0.0008 Å
• b: 12.3849 ± 0.0008 Å
• c: 57.736 ± 0.004 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 7669.4 ± 0.9 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 167
• Hermann-Mauguin space group symbol: R -3 c :H
• Hall space group symbol: -R 3 2"c
• Residual factor for all reflections: 0.0824
• Residual factor for significantly intense reflections: 0.0391
• Weighted residual factors for significantly intense reflections: 0.0924
• Weighted residual factors for all reflections included in the refinement: 0.1108
• Goodness-of-fit parameter for all reflections included in the refinement: 1.018
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No