Information card for entry 2201750

Structure parameters

• Chemical name: cis-Dichlorotetrakis(2-mercapto-1-tert-butylimidazole)lead(II)
• Formula: C28 H48 Cl2 N8 Pb S4
• Calculated formula: C28 H48 Cl2 N8 Pb S4
• SMILES: [Pb](Cl)(Cl)([S]=C1N(C(C)(C)C)C=CN1)([S]=C1N(C(C)(C)C)C=CN1)([S]=C1N(C(C)(C)C)C=CN1)[S]=C1N(C(C)(C)C)C=CN1
• Title of publication: <i>cis</i>-Dichlorotetrakis(2-mercapto-1-<i>tert</i>-butylimidazole)lead(II)
• Authors of publication: Robin N. Evans; David J. Mihalcik; Daniel S. Jones; Daniel Rabinovich
• Journal of publication: Acta Crystallographica Section E
• Year of publication: 2003
• Journal volume: 59
• Journal issue: 6
• Pages of publication: m370 - m372
• a: 10.2683 ± 0.0011 Å
• b: 10.9843 ± 0.0013 Å
• c: 34.514 ± 0.004 Å
• α: 90°
• β: 93.294 ± 0.009°
• γ: 90°
• Cell volume: 3886.4 ± 0.8 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 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: 0.0579
• Residual factor for significantly intense reflections: 0.0472
• Weighted residual factors for significantly intense reflections: 0.1235
• Weighted residual factors for all reflections included in the refinement: 0.1301
• Goodness-of-fit parameter for all reflections included in the refinement: 1.034
• Diffraction radiation wavelength: 1.5418 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No