Information card for entry 7105117

Structure parameters

• Formula: C66 H60 Cl2 Hg N4 O8
• Calculated formula: C66 H60 Cl2 Hg N4 O8
• SMILES: [Hg](Cl)(Cl)([n]1ccc(cc1)C(=O)Oc1ccc2c(c1)[C@@]1(CC2(C)C)CC(c2c1cc(cc2)OC(=O)c1ccncc1)(C)C)[n]1ccc(cc1)C(=O)Oc1cc2c(cc1)C(C[C@@]12CC(c2c1cc(cc2)OC(=O)c1ccncc1)(C)C)(C)C
• Title of publication: Molecular tectonics: from 1-D interwoven racemic chains to quadruple-stranded helices.
• Authors of publication: Lin, Mei-Jin; Jouaiti, Abdelaziz; Kyritsakas, Nathalie; Hosseini, Mir Wais
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 115 - 117
• a: 13.1808 ± 0.0012 Å
• b: 14.0766 ± 0.0012 Å
• c: 17.3666 ± 0.0015 Å
• α: 67.326 ± 0.002°
• β: 89.185 ± 0.002°
• γ: 76.7 ± 0.003°
• Cell volume: 2883.5 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0888
• Residual factor for significantly intense reflections: 0.0622
• Weighted residual factors for significantly intense reflections: 0.1613
• Weighted residual factors for all reflections included in the refinement: 0.1738
• Goodness-of-fit parameter for all reflections included in the refinement: 1.062
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No