Information card for entry 4344910

Structure parameters

• Chemical name: 1-tert-Butoxido-(2,8,9-trioxa-5-aza-3,3,7,7,11,11- tetramethyl-1-stannatricyclo[3.3.3.01,5]undecane)
• Formula: C16 H33 N O4 Sn
• Calculated formula: C16 H33 N O4 Sn
• SMILES: [Sn]123([N](C(CO1)(C)C)(CC(O2)(C)C)CC(O3)(C)C)OC(C)(C)C
• Title of publication: Novel Stannatrane N(CH2CMe2O)2(CMe2CH2O)SnO-t-Bu and Related Oligonuclear Tin(IV) Oxoclusters. Two Isomers in One Crystal.
• Authors of publication: Glowacki, Britta; Lutter, Michael; Schollmeyer, Dieter; Hiller, Wolf; Jurkschat, Klaus
• Journal of publication: Inorganic chemistry
• Year of publication: 2016
• a: 9.413 ± 0.0003 Å
• b: 10.1905 ± 0.0003 Å
• c: 19.5205 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 1872.47 ± 0.1 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 19
• Hermann-Mauguin space group symbol: P 21 21 21
• Hall space group symbol: P 2ac 2ab
• Residual factor for all reflections: 0.0189
• Residual factor for significantly intense reflections: 0.0178
• Weighted residual factors for significantly intense reflections: 0.0585
• Weighted residual factors for all reflections included in the refinement: 0.059
• Goodness-of-fit parameter for all reflections included in the refinement: 1.252
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No