Information card for entry 7028565

Structure parameters

• Formula: C58 H68 Bi2 Cl6 N12 O4 S6
• Calculated formula: C58 H68 Bi2 Cl6 N12 O4 S6
• 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: 11.3881 ± 0.0001 Å
• b: 12.376 ± 0.0001 Å
• c: 12.5068 ± 0.0001 Å
• α: 86.3437 ± 0.0005°
• β: 89.9873 ± 0.0005°
• γ: 82.142 ± 0.0004°
• Cell volume: 1742.53 ± 0.03 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0212
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0401
• Weighted residual factors for all reflections included in the refinement: 0.0419
• Goodness-of-fit parameter for all reflections included in the refinement: 1.07
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No