Information card for entry 7016107

Structure parameters

• Formula: C40 H52 N4 O4 Pb2 S8
• Calculated formula: C40 H52 N4 O4 Pb2 S8
• SMILES: [Pb]1(SC(=S)OCCCC)[n]2ccccc2c2[n]1cccc2.[Pb]12([S]=C(S1)OCCCC)[n]1ccccc1c1[n]2cccc1.[S-]C(=S)OCCCC.[S-]C(=S)OCCCC
• Title of publication: Formation of PbS materials from lead xanthate precursors.
• Authors of publication: Clark, J. M.; Kociok-Köhn, G; Harnett, N. J.; Hill, M. S.; Hill, R.; Molloy, K. C.; Saponia, H.; Stanton, D.; Sudlow, A.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 26
• Pages of publication: 6893 - 6900
• a: 10.1566 ± 0.0001 Å
• b: 24.0033 ± 0.0003 Å
• c: 10.3252 ± 0.0001 Å
• α: 90°
• β: 107.097 ± 0.001°
• γ: 90°
• Cell volume: 2405.96 ± 0.05 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• Space group number: 4
• Hermann-Mauguin space group symbol: P 1 21 1
• Hall space group symbol: P 2yb
• Residual factor for all reflections: 0.061
• Residual factor for significantly intense reflections: 0.0476
• Weighted residual factors for significantly intense reflections: 0.1054
• Weighted residual factors for all reflections included in the refinement: 0.112
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No