Information card for entry 4079907

Structure parameters

• Formula: C31 H32 Bi N S2
• Calculated formula: C31 H32 Bi N S2
• SMILES: [Bi]1(Sc2ccccc2)(Sc2ccccc2)[N](=Cc2c1cccc2)c1c(C(C)C)cccc1C(C)C
• Title of publication: Oxidative Addition of Diphenyldichalcogenides PhEEPh (E = S, Se, Te) to Low-Valent CN- and NCN-Chelated Organoantimony and Organobismuth Compounds
• Authors of publication: Šimon, Petr; Jambor, Roman; Růžička, Aleš; Dostál, Libor
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 1
• Pages of publication: 239
• a: 10.468 ± 0.0008 Å
• b: 16.545 ± 0.0008 Å
• c: 16.8689 ± 0.0012 Å
• α: 90.664 ± 0.006°
• β: 102.897 ± 0.006°
• γ: 93.428 ± 0.005°
• Cell volume: 2841.8 ± 0.3 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0772
• Residual factor for significantly intense reflections: 0.0433
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.0938
• Goodness-of-fit parameter for all reflections included in the refinement: 1.144
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No