Information card for entry 7028566

Structure parameters

• Formula: C24 H36 Bi2 Cl6 N4 O2 S8
• Calculated formula: C24 H36 Bi2 Cl6 N4 O2 S8
• SMILES: [Bi]1([S]=C2SC=C(C)N2)([S]=C2NC(=CS2)C)(Cl)(Cl)[Cl][Bi]([S]=C2SC=C(C)N2)([S]=C2NC(=CS2)C)(Cl)(Cl)[Cl]1.O1CCCC1.O1CCCC1
• 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: 9.7298 ± 0.0002 Å
• b: 10.4082 ± 0.0002 Å
• c: 10.5641 ± 0.0002 Å
• α: 95.4432 ± 0.0008°
• β: 102.152 ± 0.0008°
• γ: 95.402 ± 0.0008°
• Cell volume: 1033.95 ± 0.04 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: 0.026
• Residual factor for significantly intense reflections: 0.0243
• Weighted residual factors for significantly intense reflections: 0.0579
• Weighted residual factors for all reflections included in the refinement: 0.0587
• Goodness-of-fit parameter for all reflections included in the refinement: 1.014
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No