Information card for entry 4084618

Structure parameters

• Formula: C64 H83 Br N6 O2 Si4 Sn
• Calculated formula: C60.5 H79 Br N6 O2 Si4 Sn
• SMILES: [Sn]123(Br)(OC(=CC(=[O]1)c1ccccc1)c1ccccc1)([N](=C(N([Si](C)(C)C)[Si](C)(C)C)N3c1ccc(cc1)C)c1ccc(cc1)C)[N](=C(N2c1ccc(cc1)C)N([Si](C)(C)C)[Si](C)(C)C)c1ccc(cc1)C.c1c(cccc1)C
• Title of publication: Reactivity of Tin(II) Guanidinate with 1,2- and 1,3-Diones: Oxidative Cycloaddition or Ligand Substitution ?
• Authors of publication: Chlupatý, Tomáš; Růžičková, Zdeňka; Horáček, Michal; Merna, Jan; Alonso, Mercedes; De Proft, Frank; Růžička, Aleš
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2202
• a: 12.179 ± 0.0007 Å
• b: 21.885 ± 0.003 Å
• c: 25.965 ± 0.004 Å
• α: 96.716 ± 0.01°
• β: 102.547 ± 0.007°
• γ: 101.932 ± 0.008°
• Cell volume: 6513.8 ± 1.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0571
• Residual factor for significantly intense reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.073
• Weighted residual factors for all reflections included in the refinement: 0.0786
• Goodness-of-fit parameter for all reflections included in the refinement: 1.077
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No