Information card for entry 4344911

Structure parameters

• Chemical name: (m3-oxido)(tert-Butanolato)-tris(2,8,9-trioxa-5-aza-3,3,7,7,11,11- tetramethyl-1-stanna-tricyclo[3.3.3.01,5]-undecane) (m3-oxido)(m3-tert-Butanolato)-tris(2,8,9-trioxa-5-aza-3,3,7,7,11,11- tetramethyl-1-stanna-tricyclo[3.3.3.01,5]-undecane)
• Formula: C83.5 H166 N6 O22 Sn6
• Calculated formula: C80 H162 N6 O22 Sn6
• SMILES: [Sn]123456[O]7(C(C)(C)C)[Sn]89%10%11([O]1[Sn]17%12%13([O]6CC(C)(C)[N]2(CC(O4)(C)C)CC(O5)(C)C)OC(C[N]1(CC(O%12)(C)C)C(C[O]8%13)(C)C)(C)C)[N](CC(O%11)(C)C)(CC(O9)(C)C)C(C[O]3%10)(C)C.[N]123[Sn]456([O](C(C2)(C)C)[Sn]2789([O]%10[Sn]%11%12(OC(C[N]%11(CC(O%12)(C)C)C(C%10)(C)C)(C)C)([O]5CC3(C)C)[O]24)[N](CC(O8)(C)C)(CC(O9)(C)C)C(C[O]67)(C)C)(OC(C1)(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: 13.2531 ± 0.0002 Å
• b: 20.4541 ± 0.0004 Å
• c: 21.791 ± 0.0004 Å
• α: 115.09 ± 0.0019°
• β: 90.2795 ± 0.0016°
• γ: 103.555 ± 0.0016°
• Cell volume: 5164.13 ± 0.19 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0434
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.1083
• Weighted residual factors for all reflections included in the refinement: 0.1107
• Goodness-of-fit parameter for all reflections included in the refinement: 1.386
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No