Information card for entry 7014685

Structure parameters

• Formula: C50 H70 N4 Sn
• Calculated formula: C50 H70 N4 Sn
• SMILES: [Sn]12(N(c3c(cccc3C(C)C)C(C)C)C=[N]1c1c(cccc1C(C)C)C(C)C)N(c1c(cccc1C(C)C)C(C)C)C=[N]2c1c(cccc1C(C)C)C(C)C
• Title of publication: Synthesis of high-molecular-weight poly(ε-caprolactone) catalyzed by highly active bis(amidinate) tin(ii) complexes.
• Authors of publication: Phomphrai, Khamphee; Pongchan-O, Chatyapha; Thumrongpatanaraks, Wipavee; Sangtrirutnugul, Preeyanuch; Kongsaeree, Palangpon; Pohmakotr, Manat
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2011
• Journal volume: 40
• Journal issue: 10
• Pages of publication: 2157 - 2159
• a: 14.9195 ± 0.0004 Å
• b: 16.3981 ± 0.0005 Å
• c: 21.0942 ± 0.0006 Å
• α: 90°
• β: 110.127 ± 0.002°
• γ: 90°
• Cell volume: 4845.6 ± 0.2 ų
• Cell temperature: 298 K
• Ambient diffraction temperature: 298 K
• Number of distinct elements: 4
• 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: 0.0862
• Residual factor for significantly intense reflections: 0.0554
• Weighted residual factors for significantly intense reflections: 0.1509
• Weighted residual factors for all reflections included in the refinement: 0.1761
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No