Information card for entry 4070086

Structure parameters

• Formula: C13 H20 F3 N2 O4 S Sb
• Calculated formula: C13 H20 F3 N2 O4 S Sb
• SMILES: [Sb]12(O)c3c(C[N]2(C)C)cccc3C[N]1(C)C.S(=O)(=O)(C(F)(F)F)[O-]
• Title of publication: Synthesis and Structural Study on Organoantimony(III) and Organobismuth(III) Hydroxides Containing an NCN Pincer Type Ligand†
• Authors of publication: Fridrichová, Adéla; Svoboda, Tomáš; Jambor, Roman; Padělková, Zdeňka; Růžička, Aleš; Erben, Milan; Jirásko, Robert; Dostál, Libor
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 18
• Pages of publication: 5522
• a: 10.4901 ± 0.0004 Å
• b: 14.2932 ± 0.001 Å
• c: 12.2596 ± 0.001 Å
• α: 90°
• β: 102.565 ± 0.005°
• γ: 90°
• Cell volume: 1794.1 ± 0.2 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 7
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0443
• Residual factor for significantly intense reflections: 0.0307
• Weighted residual factors for significantly intense reflections: 0.0648
• Weighted residual factors for all reflections included in the refinement: 0.0747
• Goodness-of-fit parameter for all reflections included in the refinement: 1.126
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No