Information card for entry 4081409

Structure parameters

• Chemical name: {[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl} tin(II)selenophenolate
• Formula: C28 H44 O6 P2 Se Sn
• Calculated formula: C28 H44 O6 P2 Se Sn
• SMILES: [Sn]12([Se]c3ccccc3)[O]=P(OC(C)C)(OC(C)C)c3c2c(P(=[O]1)(OC(C)C)OC(C)C)cc(c3)C(C)(C)C
• Title of publication: Reactivity of Organotin(I) Dimers RSnSnR (R = 2,6-(Me2NCH2)2C6H3, 4-t-Bu-2,6-{P(O)(O-i-Pr)2}2C6H2) with Diaryl Dichalcogenides, ArEEAr (E = S, Se, Te; Ar = Ph, 2-C5H4N): Control of Secondary Sn···Sn Interactions by Intramolecular Coordination and Identity of the Aryl Chalcogenate
• Authors of publication: Wagner, Michael; Dietz, Christina; Bouška, Marek; Dostál, Libor; Padĕlková, Zdeňka; Jambor, Roman; Jurkschat, Klaus
• Journal of publication: Organometallics
• Year of publication: 2013
• Journal volume: 32
• Journal issue: 17
• Pages of publication: 4973
• a: 12.0217 ± 0.0005 Å
• b: 12.3852 ± 0.0005 Å
• c: 13.9837 ± 0.0005 Å
• α: 86.287 ± 0.003°
• β: 65.992 ± 0.004°
• γ: 62.447 ± 0.004°
• Cell volume: 1666.52 ± 0.15 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 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: 0.0323
• Residual factor for significantly intense reflections: 0.0224
• Weighted residual factors for significantly intense reflections: 0.0454
• Weighted residual factors for all reflections included in the refinement: 0.0464
• Goodness-of-fit parameter for all reflections included in the refinement: 0.886
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No