Information card for entry 4070087

Structure parameters

• Formula: C13.5 H22 Bi Cl2 F3 N2 O4 S
• Calculated formula: C13.5 H21 Bi Cl F3 N2 O4 S
• SMILES: C(Cl)Cl.c12c3cccc1C[N]([Bi]2([N](C3)(C)C)O)(C)C.FC(F)(F)S(=O)(=O)[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: 20.1791 ± 0.001 Å
• b: 14.1472 ± 0.0009 Å
• c: 15.7777 ± 0.0008 Å
• α: 90°
• β: 120.27 ± 0.01°
• γ: 90°
• Cell volume: 3890.1 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 8
• 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: 0.0511
• Residual factor for significantly intense reflections: 0.0366
• Weighted residual factors for significantly intense reflections: 0.0861
• Weighted residual factors for all reflections included in the refinement: 0.0961
• Goodness-of-fit parameter for all reflections included in the refinement: 1.107
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No