Information card for entry 4080813

Structure parameters

• Chemical name: 6-[2-(dimethylstibanyl)benzyl]-12,12-dimethyl-5,6,7,12- tetrahydrodibenzo[c,f][1,5]azastibocin-12-ium iodide dichloromethane solvate
• Formula: C26 H32 Cl2 I N Sb2
• Calculated formula: C26 H32 Cl2 I N Sb2
• SMILES: [Sb]12([N](Cc3c1cccc3)(Cc1c2cccc1)Cc1c([Sb](C)C)cccc1)(C)C.[I-].ClCCl
• Title of publication: Synthesis and Reactions of a Hybrid Tristibine Ligand
• Authors of publication: Benjamin, Sophie L.; Levason, William; Reid, Gillian
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 9
• Pages of publication: 2760
• a: 9.6461 ± 0.0013 Å
• b: 11.2438 ± 0.0016 Å
• c: 13.686 ± 0.002 Å
• α: 102.791 ± 0.007°
• β: 93.471 ± 0.007°
• γ: 102.749 ± 0.007°
• Cell volume: 1402.5 ± 0.3 ų
• Cell temperature: 120 ± 2 K
• Ambient diffraction temperature: 120 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0425
• Residual factor for significantly intense reflections: 0.0383
• Weighted residual factors for significantly intense reflections: 0.1024
• Weighted residual factors for all reflections included in the refinement: 0.1063
• Goodness-of-fit parameter for all reflections included in the refinement: 1.056
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Diffraction radiation X-ray symbol: K-L~2,3~
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No