Information card for entry 7016109

Structure parameters

• Formula: C15 H33 N3 O2 Pb S4
• Calculated formula: C15 H33 N3 O2 Pb S4
• SMILES: [Pb]1234([S]=C(S1)OCC)([S]=C(S2)OCC)[N](C)(C)CC[N]3(C)CC[N]4(C)C
• 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: 13.1961 ± 0.0004 Å
• b: 12.445 ± 0.0004 Å
• c: 15.2419 ± 0.0005 Å
• α: 90°
• β: 109.177 ± 0.002°
• γ: 90°
• Cell volume: 2364.21 ± 0.13 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0694
• Residual factor for significantly intense reflections: 0.0378
• Weighted residual factors for significantly intense reflections: 0.0758
• Weighted residual factors for all reflections included in the refinement: 0.0869
• Goodness-of-fit parameter for all reflections included in the refinement: 1.031
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No