Information card for entry 4079475

Structure parameters

• Formula: C32 H48 Bi2 N4 S Si4
• Calculated formula: C32 H48 Bi2 N4 S Si4
• SMILES: [Bi]1(S[Bi]2N([Si](C)(C)C)c3c4c(N2[Si](C)(C)C)cccc4ccc3)N([Si](C)(C)C)c2c3c(N1[Si](C)(C)C)cccc3ccc2
• Title of publication: Organobismuth(III) and Dibismuthine Complexes Bearing N,N′-Disubstituted 1,8-Diaminonaphthalene Ligand: Synthesis, Structure, and Reactivity
• Authors of publication: Nekoueishahraki, Bijan; Samuel, Prinson P.; Roesky, Herbert W.; Stern, Daniel; Matussek, Julia; Stalke, Dietmar
• Journal of publication: Organometallics
• Year of publication: 2012
• Journal volume: 31
• Journal issue: 18
• Pages of publication: 6697
• a: 24.3481 ± 0.0014 Å
• b: 12.9325 ± 0.0008 Å
• c: 27.2352 ± 0.0016 Å
• α: 90°
• β: 114.866 ± 0.001°
• γ: 90°
• Cell volume: 7780.8 ± 0.8 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0228
• Residual factor for significantly intense reflections: 0.017
• Weighted residual factors for significantly intense reflections: 0.0331
• Weighted residual factors for all reflections included in the refinement: 0.0344
• Goodness-of-fit parameter for all reflections included in the refinement: 1.016
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No