Information card for entry 7005894

Structure parameters

• Formula: C31 H49 N3 Sn
• Calculated formula: C31 H49 N3 Sn
• SMILES: [Sn]1([N](=C(N1c1c(cccc1C(C)C)C(C)C)C(C)(C)C)c1c(cccc1C(C)C)C(C)C)N(C)C
• Title of publication: Tert-butylamidinate tin(ii) complexes: high activity, single-site initiators for the controlled production of polylactide.
• Authors of publication: Nimitsiriwat, Nonsee; Gibson, Vernon C.; Marshall, Edward L.; White, Andrew J. P.; Dale, Sophie H.; Elsegood, Mark R. J.
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2007
• Journal issue: 39
• Pages of publication: 4464 - 4471
• a: 10.0495 ± 0.0009 Å
• b: 11.0334 ± 0.001 Å
• c: 15.5989 ± 0.0014 Å
• α: 99.131 ± 0.002°
• β: 107.283 ± 0.002°
• γ: 106.213 ± 0.002°
• Cell volume: 1529.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0331
• Residual factor for significantly intense reflections: 0.028
• Weighted residual factors for significantly intense reflections: 0.0679
• Weighted residual factors for all reflections included in the refinement: 0.0704
• Goodness-of-fit parameter for all reflections included in the refinement: 1.064
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No