Information card for entry 7003244

Structure parameters

• Formula: C24 H24 Cl2 Hg N4 O9
• Calculated formula: C24 H24 Cl2 Hg N4 O9
• SMILES: [Hg](Cl)(Cl)[N](CCOc1ccc(N(=O)=O)cc1)(CCOc1ccc(N(=O)=O)cc1)CCOc1ccc(N(=O)=O)cc1
• Title of publication: Binding of HgCl2 by tripodal ligands controlled by AgPF6: receptors for the PF6− anion
• Authors of publication: Singh, Ashutosh S.; Bharadwaj, Parimal K.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 6
• Pages of publication: 738 - 741
• a: 8.19 ± 0.005 Å
• b: 8.396 ± 0.005 Å
• c: 20.92 ± 0.005 Å
• α: 80.781 ± 0.001°
• β: 88.39 ± 0.001°
• γ: 73.641 ± 0.001°
• Cell volume: 1362.2 ± 1.2 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0656
• Residual factor for significantly intense reflections: 0.0478
• Weighted residual factors for significantly intense reflections: 0.108
• Weighted residual factors for all reflections included in the refinement: 0.1638
• Goodness-of-fit parameter for all reflections included in the refinement: 1.243
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No