Information card for entry 4070085

Structure parameters

• Formula: C13 H20 F3 N2 O4 S Sb
• Calculated formula: C13 H20 F3 N2 O4 S Sb
• SMILES: [Sb]12(O)=N(C)(Cc3c2c(C[N+]1(C)C)ccc3)C.S(=O)(=O)([O-])C(F)(F)F
• 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: 9.386 ± 0.0004 Å
• b: 10.182 ± 0.0005 Å
• c: 10.454 ± 0.0005 Å
• α: 80.744 ± 0.004°
• β: 89.194 ± 0.004°
• γ: 71.495 ± 0.004°
• Cell volume: 934.35 ± 0.08 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0345
• Residual factor for significantly intense reflections: 0.0288
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0733
• Goodness-of-fit parameter for all reflections included in the refinement: 1.112
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No