Information card for entry 4344909

Structure parameters

• Chemical name: bis(2-dimethyl-2-hydroxypropyl)(1-dimethyl-2-hydroxypropyl)amine
• Formula: C12 H27 N O3
• Calculated formula: C12 H27 N O3
• SMILES: OC(CN(CC(O)(C)C)C(CO)(C)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: 12.6182 ± 0.0007 Å
• b: 12.6315 ± 0.0007 Å
• c: 18.1289 ± 0.001 Å
• α: 79.601 ± 0.004°
• β: 79.25 ± 0.004°
• γ: 89.473 ± 0.005°
• Cell volume: 2791.3 ± 0.3 ų
• Cell temperature: 193 ± 2 K
• Ambient diffraction temperature: 193 ± 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: 0.1125
• Residual factor for significantly intense reflections: 0.0621
• Weighted residual factors for significantly intense reflections: 0.1573
• Weighted residual factors for all reflections included in the refinement: 0.1977
• Goodness-of-fit parameter for all reflections included in the refinement: 1.057
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No