Information card for entry 7031672

Structure parameters

• Formula: C16 H20 B2 N4 Pb S8
• Calculated formula: C16 H20 B2 N4 Pb S8
• SMILES: [Pb]12([S]=C3SC=C(N3[BH2][n]3c(S1)scc3C)C)Sc1scc([n]1[BH2]N1C(=[S]2)SC=C1C)C
• Title of publication: Hemi- and holo-directed lead(II) complexes in a soft ligand environment.
• Authors of publication: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Gründlinger, Petra; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2015
• Journal volume: 44
• Journal issue: 3
• Pages of publication: 924 - 937
• a: 9.93379 ± 0.00019 Å
• b: 12.2627 ± 0.0003 Å
• c: 12.4372 ± 0.0003 Å
• α: 65.316 ± 0.002°
• β: 83.1389 ± 0.0017°
• γ: 66.8959 ± 0.0019°
• Cell volume: 1264.4 ± 0.06 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0165
• Residual factor for significantly intense reflections: 0.0146
• Weighted residual factors for significantly intense reflections: 0.0321
• Weighted residual factors for all reflections included in the refinement: 0.0327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.085
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No