Information card for entry 7012672

Structure parameters

• Formula: C30 H42 Cl6 Hg3 N14
• Calculated formula: C30 H42 Cl6 Hg3 N14
• SMILES: C1c2[n](ccn2C)[Hg]2(Cl)[n]3c(CN1Cc1[n]2ccn1C)n(cc3)C.Cl[Hg](Cl)([Cl-])[Cl-].N12Cc3[n](ccn3C)[Hg](Cl)([n]3c(C1)n(cc3)C)[n]1c(C2)n(cc1)C
• 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: 9.093 ± 0.003 Å
• b: 15.381 ± 0.004 Å
• c: 30.119 ± 0.009 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 4212 ± 2 ų
• Cell temperature: 168 ± 2 K
• Ambient diffraction temperature: 168 ± 2 K
• Number of distinct elements: 5
• Space group number: 60
• Hermann-Mauguin space group symbol: P b n a
• Hall space group symbol: -P 2ac 2b
• Residual factor for all reflections: 0.0635
• Residual factor for significantly intense reflections: 0.0319
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0923
• Goodness-of-fit parameter for all reflections included in the refinement: 0.953
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No