Information card for entry 7031693

Structure parameters

• Formula: C21 H15 Bi N12 S3
• Calculated formula: C21 H15 Bi N12 S3
• Title of publication: Boron-centered soft ligands based on tetrazole units and their complexes with sodium, potassium and bismuth ions.
• Authors of publication: Imran, Muhammad; Mix, Andreas; Neumann, Beate; Stammler, Hans-Georg; Monkowius, Uwe; Bleckenwegner, Petra; Mitzel, Norbert W.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2014
• Journal volume: 43
• Journal issue: 39
• Pages of publication: 14737 - 14748
• a: 24.0122 ± 0.0006 Å
• b: 24.0122 ± 0.0006 Å
• c: 7.8167 ± 0.0002 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 3903.17 ± 0.17 ų
• Cell temperature: 100 K
• Ambient diffraction temperature: 100 K
• Number of distinct elements: 5
• Space group number: 158
• Hermann-Mauguin space group symbol: P 3 c 1
• Hall space group symbol: P 3 -2"c
• Residual factor for all reflections: 0.0185
• Residual factor for significantly intense reflections: 0.0176
• Weighted residual factors for significantly intense reflections: 0.0478
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 1.215
• Diffraction radiation wavelength: 1.54178 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No