Information card for entry 7026850

Structure parameters

• Formula: C8 H20 N2 Pb S2
• Calculated formula: C8 H20 N2 Pb S2
• SMILES: [Pb]12(SCC[N]1(C)C)SCC[N]2(C)C
• Title of publication: A new stable monomeric lead(ii) dithiolate Pb(SCH(2)CH(2)NMe(2))(2): an interplay between a dynamic "flip-flop" process in solution and conformational isomerism in the solid-state.
• Authors of publication: Khrustalev, Victor N.; Aysin, Rinat R.; Borisova, Irina V.; Peregudov, Alexander S.; Leites, Larissa A.; Zemlyansky, Nikolai N.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2010
• Journal volume: 39
• Journal issue: 40
• Pages of publication: 9480 - 9483
• a: 10.3938 ± 0.0005 Å
• b: 10.7759 ± 0.0005 Å
• c: 11.4619 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1283.76 ± 0.11 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0239
• Residual factor for significantly intense reflections: 0.0185
• Weighted residual factors for significantly intense reflections: 0.0365
• Weighted residual factors for all reflections included in the refinement: 0.0379
• Goodness-of-fit parameter for all reflections included in the refinement: 0.936
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No