Information card for entry 4344912

Structure parameters

• Formula: C60 H116 N4 O22 Sn6
• Calculated formula: C60 H108 N4 O22 Sn6
• SMILES: [Sn]1234([N](C(CO1)(C)C)(CC(O2)(C)C)CC(O3)(C)C)[O]1[Sn]2356([O]4[Sn]47(O[Sn]89%10%11%12[O]4[Sn](O2)([O]8[Sn]248([N](C(CO2)(C)C)(CC(O4)(C)C)CC(O8)(C)C)[O]9CC([N]%10(CC(O%11)(C)C)CC(O%12)(C)C)(C)C)([O]67)([OH2])[OH2])([OH2])[OH2])[N](C(C1)(C)C)(CC(O3)(C)C)CC(O5)(C)C.c1ccccc1.c1ccccc1
• 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: 14.4599 ± 0.0008 Å
• b: 18.5397 ± 0.0009 Å
• c: 27.7172 ± 0.0016 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 7430.5 ± 0.7 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: 0.1207
• Residual factor for significantly intense reflections: 0.064
• Weighted residual factors for significantly intense reflections: 0.1077
• Weighted residual factors for all reflections included in the refinement: 0.1228
• Goodness-of-fit parameter for all reflections included in the refinement: 0.978
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No