Information card for entry 7012670

Structure parameters

• Formula: C30 H42 Cl2 Hg N14 O8
• Calculated formula: C30 H42 Cl2 Hg N14 O8
• 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: 12.3821 ± 0.0013 Å
• b: 13.6576 ± 0.0015 Å
• c: 12.5346 ± 0.0019 Å
• α: 90°
• β: 110.358 ± 0.009°
• γ: 90°
• Cell volume: 1987.3 ± 0.4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0812
• Residual factor for significantly intense reflections: 0.0453
• Weighted residual factors for significantly intense reflections: 0.1051
• Weighted residual factors for all reflections included in the refinement: 0.1239
• 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: Yes
• Has Fobs: No