Information card for entry 4069181

Structure parameters

• Formula: C13 H23 N2 O5 Sb
• Calculated formula: C13 H23 N2 O5 Sb
• SMILES: [Sb]123([N](Cc5c2c(ccc5)C[N]3(C)C)(C)C)OC(=O)O1.O.O
• Title of publication: Efficient and Reversible Fixation of Carbon Dioxide by NCN-Chelated†Organoantimony(III) Oxide
• Authors of publication: Dostál, Libor; Jambor, Roman; Růžička, Aleš; Erben, Milan; Jirásko, Robert; Černošková, Eva; Holeček, Jaroslav
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 8
• Pages of publication: 2633
• a: 11.6248 ± 0.0002 Å
• b: 16.3348 ± 0.0002 Å
• c: 18.3135 ± 0.0005 Å
• α: 90°
• β: 106.296 ± 0.012°
• γ: 90°
• Cell volume: 3337.8 ± 0.2 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0552
• Residual factor for significantly intense reflections: 0.0369
• Weighted residual factors for significantly intense reflections: 0.0722
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.111
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No