Information card for entry 4084616

Structure parameters

• Formula: C60 H80 N6 O3 Si4 Sn
• Calculated formula: C56 H72 N6 O2 Si4 Sn
• SMILES: C1(=[N](c2ccc(cc2)C)[Sn]23(Oc4c(O2)c2c(c5c4cccc5)cccc2)(N1c1ccc(cc1)C)N(C(=[N]3c1ccc(cc1)C)N([Si](C)(C)C)[Si](C)(C)C)c1ccc(cc1)C)N([Si](C)(C)C)[Si](C)(C)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: 12.474 ± 0.0009 Å
• b: 12.474 ± 0.0009 Å
• c: 41.302 ± 0.003 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6426.6 ± 0.8 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 92
• Hermann-Mauguin space group symbol: P 41 21 2
• Hall space group symbol: P 4abw 2nw
• Residual factor for all reflections: 0.0768
• Residual factor for significantly intense reflections: 0.0656
• Weighted residual factors for significantly intense reflections: 0.1536
• Weighted residual factors for all reflections included in the refinement: 0.161
• Goodness-of-fit parameter for all reflections included in the refinement: 1.108
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No