Information card for entry 7031673

Structure parameters

• Formula: C14 H12 N6 O6 Pb S2
• Calculated formula: C14 H12 N6 O6 Pb S2
• SMILES: C1(Nc2ccccc2N1)=[S][Pb]([S]=C1Nc2ccccc2N1)(ON(=O)=O)ON(=O)=O
• 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: 12.354 ± 0.005 Å
• b: 16.814 ± 0.006 Å
• c: 9.0073 ± 0.0018 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1871 ± 1.1 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0519
• Residual factor for significantly intense reflections: 0.027
• Weighted residual factors for significantly intense reflections: 0.045
• Weighted residual factors for all reflections included in the refinement: 0.0515
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No