Information card for entry 7028564

Structure parameters

• Formula: C25.5 H31.5 B3 Bi Cl4.5 N6 S12
• Calculated formula: C25.5 H31.5 B3 Bi Cl4.5 N6 S12
• Title of publication: Borate-based ligands with two soft heterocycle/thione groups and their sodium and bismuth complexes.
• 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: 2014
• Journal volume: 43
• Journal issue: 3
• Pages of publication: 1267 - 1278
• a: 20.437 ± 0.0002 Å
• b: 13.2322 ± 0.0001 Å
• c: 33.6123 ± 0.0003 Å
• α: 90°
• β: 105.791 ± 0.0005°
• γ: 90°
• Cell volume: 8746.61 ± 0.14 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• 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: 0.0408
• Residual factor for significantly intense reflections: 0.0299
• Weighted residual factors for significantly intense reflections: 0.0678
• Weighted residual factors for all reflections included in the refinement: 0.0719
• Goodness-of-fit parameter for all reflections included in the refinement: 1.021
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No