Information card for entry 7021419

Structure parameters

• Formula: C36 H39 Cl N2 O Si Sn
• Calculated formula: C36 H39 Cl N2 O Si Sn
• SMILES: [Sn@@]1([N](Cc2c1cccc2)(C)C)(Cl)(O[Si](c1ccccc1)(c1ccccc1)c1ccccc1)c1c(cccc1)CN(C)C
• Title of publication: Activation of E-Cl bonds (E = C, Si, Ge and Sn) by a C,N-chelated stannylene.
• Authors of publication: Padělková, Zdeňka; Svec, Petr; Pejchal, Vladimír; Růžička, Aleš
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2013
• Journal volume: 42
• Journal issue: 21
• Pages of publication: 7660 - 7671
• a: 9.155 ± 0.0006 Å
• b: 9.4191 ± 0.0005 Å
• c: 11.4639 ± 0.0009 Å
• α: 66.266 ± 0.005°
• β: 79.64 ± 0.005°
• γ: 63.335 ± 0.004°
• Cell volume: 808.7 ± 0.1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 7
• Space group number: 1
• Hermann-Mauguin space group symbol: P 1
• Hall space group symbol: P 1
• Residual factor for all reflections: 0.0337
• Residual factor for significantly intense reflections: 0.0329
• Weighted residual factors for significantly intense reflections: 0.0802
• Weighted residual factors for all reflections included in the refinement: 0.081
• Goodness-of-fit parameter for all reflections included in the refinement: 1.055
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No