Information card for entry 4329509

Structure parameters

• Chemical name: [2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyltin(I)
• Formula: C44 H78 O12 P4 Sn2
• Calculated formula: C44 H78 O12 P4 Sn2
• SMILES: [Sn]12([O]=P(OC(C)C)(OC(C)C)c3c2c(P(=[O]1)(OC(C)C)OC(C)C)cc(c3)C(C)(C)C)[Sn]12[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: {4-t-Bu-2,6-[P(O)(O-i-Pr)2]2C6H2Sn}2: An Intramolecularly Coordinated Organotin(I) Compound with a Sn-Sn Single Bond, Its Disproportionation toward a Diorganostannylene and Elemental Tin, and Its Oxidation with PhI(OAc)2
• Authors of publication: Michael Wagner; Christina Dietz; Stefan Krabbe; Stephan G. Koller; Carsten Strohmann; Klaus Jurkschat
• Journal of publication: Inorganic Chemistry
• Year of publication: 2012
• Journal volume: 51
• Pages of publication: 6851 - 6859
• a: 12.4462 ± 0.0004 Å
• b: 12.6211 ± 0.0003 Å
• c: 18.0942 ± 0.0005 Å
• α: 82.249 ± 0.002°
• β: 76.873 ± 0.002°
• γ: 86.797 ± 0.002°
• Cell volume: 2741.82 ± 0.14 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 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: 0.0873
• Residual factor for significantly intense reflections: 0.057
• Weighted residual factors for significantly intense reflections: 0.1572
• Weighted residual factors for all reflections included in the refinement: 0.1662
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No