Information card for entry 7031691

Structure parameters

• Formula: C30 H24 Bi2 N16 O0.5 S4
• Calculated formula: C28 H20 Bi2 N16 S4
• SMILES: c1(n(c2ccccc2)nnn1)S[Bi]12[n]3c(n(c4ccccc4)nn3)S[Bi]2([n]2c(n(c3ccccc3)nn2)S1)Sc1n(c2ccccc2)nnn1
• 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: 23.6264 ± 0.0003 Å
• b: 6.72789 ± 0.00005 Å
• c: 24.3264 ± 0.0002 Å
• α: 90°
• β: 95.951 ± 0.0008°
• γ: 90°
• Cell volume: 3845.98 ± 0.07 ų
• Cell temperature: 100.01 ± 0.1 K
• Ambient diffraction temperature: 100.01 ± 0.1 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: 0.0246
• Residual factor for significantly intense reflections: 0.0232
• Weighted residual factors for significantly intense reflections: 0.0598
• Weighted residual factors for all reflections included in the refinement: 0.0604
• Goodness-of-fit parameter for all reflections included in the refinement: 1.191
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No