Information card for entry 7023772

Structure parameters

• Formula: C12 H20 Bi Cl3 N12 S4
• Calculated formula: C12 H20 Bi Cl3 N12 S4
• SMILES: C1(=[S][Bi]([S]=C2NN=CN2C)(Cl)([S]=C2NN=CN2C)([S]=C2NN=CN2C)Cl)NN=CN1C.[Cl-]
• Title of publication: The versatile behaviour of a novel Janus scorpionate ligand towards sodium, potassium and bismuth(iii) ions.
• Authors of publication: Imran, Muhammad; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Ertl, Martin; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 44
• Pages of publication: 15785 - 15795
• a: 17.7736 ± 0.0012 Å
• b: 11.6737 ± 0.0012 Å
• c: 14.194 ± 0.002 Å
• α: 90°
• β: 113.552 ± 0.007°
• γ: 90°
• Cell volume: 2699.7 ± 0.5 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0215
• Residual factor for significantly intense reflections: 0.0164
• Weighted residual factors for significantly intense reflections: 0.0314
• Weighted residual factors for all reflections included in the refinement: 0.0327
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No