Information card for entry 7030982

Structure parameters

• Formula: C25 H35 B2 Bi I2 N15 Na O2 S12
• Calculated formula: C25 H34.544 B2 Bi I2 N15 Na O2 S12
• SMILES: [Bi]12(I)([S]=C3SC(=NN3[BH](N3N=C(SC3=[S]1)C)N1N=C(SC1=S)C)C)(I)[S]=C1SC(=NN1[BH](N1N=C(SC1=[S]2)C)N1N=C(SC1=S)C)C.[Na+].OC.O.N#CC.N#CC.N#CC
• Title of publication: Synthesis, structural and photo-physical studies of bismuth(iii) complexes with Janus scorpionate and co-ligands.
• 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: 28
• Pages of publication: 10956 - 10968
• a: 14.92021 ± 0.00015 Å
• b: 17.0867 ± 0.00014 Å
• c: 20.8514 ± 0.0002 Å
• α: 90°
• β: 107.728 ± 0.0011°
• γ: 90°
• Cell volume: 5063.38 ± 0.09 ų
• Cell temperature: 100.02 ± 0.1 K
• Ambient diffraction temperature: 100.02 ± 0.1 K
• Number of distinct elements: 9
• 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: 0.023
• Residual factor for significantly intense reflections: 0.021
• Weighted residual factors for significantly intense reflections: 0.0489
• Weighted residual factors for all reflections included in the refinement: 0.0494
• Goodness-of-fit parameter for all reflections included in the refinement: 1.211
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No