Information card for entry 4084615

Structure parameters

• Formula: C56 H80 Cl4 N6 O4 Si4 Sn
• Calculated formula: C56 H80 Cl4 N6 O4 Si4 Sn
• SMILES: [Sn]123(Oc4c(O1)c(Cl)c(Cl)c(Cl)c4Cl)(N(c1ccc(cc1)C)C(=[N]2c1ccc(cc1)C)N([Si](C)(C)C)[Si](C)(C)C)[N](=C(N([Si](C)(C)C)[Si](C)(C)C)N3c1ccc(cc1)C)c1ccc(cc1)C.C1CCOC1.C1COCC1
• 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: 21.794 ± 0.003 Å
• b: 12.094 ± 0.001 Å
• c: 23.911 ± 0.0019 Å
• α: 90°
• β: 95.699 ± 0.012°
• γ: 90°
• Cell volume: 6271.2 ± 1.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0833
• Residual factor for significantly intense reflections: 0.05
• Weighted residual factors for significantly intense reflections: 0.0898
• Weighted residual factors for all reflections included in the refinement: 0.1066
• Goodness-of-fit parameter for all reflections included in the refinement: 1.13
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No