Information card for entry 4084617

Structure parameters

• Formula: C46 H74 Cl2 N6 O Si4 Sn
• Calculated formula: C46 H74 Cl2 N6 O Si4 Sn
• SMILES: C1(=[N](c2ccc(cc2)C)[Sn]2(N1c1ccc(cc1)C)(Cl)([N](=C(N2c1ccc(cc1)C)N([Si](C)(C)C)[Si](C)(C)C)c1ccc(cc1)C)Cl)N([Si](C)(C)C)[Si](C)(C)C.C(C)OCC
• 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: 16.467 ± 0.0011 Å
• b: 17.815 ± 0.0011 Å
• c: 18.3959 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5396.6 ± 0.7 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 56
• Hermann-Mauguin space group symbol: P c c n
• Hall space group symbol: -P 2ab 2ac
• Residual factor for all reflections: 0.0895
• Residual factor for significantly intense reflections: 0.0449
• Weighted residual factors for significantly intense reflections: 0.072
• Weighted residual factors for all reflections included in the refinement: 0.0893
• Goodness-of-fit parameter for all reflections included in the refinement: 1.135
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No