Information card for entry 4329511

Structure parameters

• Chemical name: Bis-{[2,6-Bis(diisopropoxyphosphonyl)-4-tert-butyl]phenyl}tin(II)
• Formula: C51 H86 O12 P4 Sn
• Calculated formula: C44 H78 O12 P4 Sn
• SMILES: c12c(cc(cc1P(=O)(OC(C)C)OC(C)C)C(C)(C)C)P(=[O][Sn]12c2c(cc(cc2P(=O)(OC(C)C)OC(C)C)C(C)(C)C)P(=[O]1)(OC(C)C)OC(C)C)(OC(C)C)OC(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: 18.049 ± 0.0006 Å
• b: 24.1798 ± 0.0008 Å
• c: 13.5944 ± 0.0005 Å
• α: 90°
• β: 103.039 ± 0.003°
• γ: 90°
• Cell volume: 5779.9 ± 0.4 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0352
• Residual factor for significantly intense reflections: 0.0238
• Weighted residual factors for significantly intense reflections: 0.0645
• Weighted residual factors for all reflections included in the refinement: 0.066
• Goodness-of-fit parameter for all reflections included in the refinement: 0.824
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No