Information card for entry 4069578

Structure parameters

• Formula: C18 H21 F9 N2 O7 Sn
• Calculated formula: C18 H21 F9 N2 O7 Sn
• SMILES: [Sn]1(OC(=O)C(F)(F)F)(OC(=O)C(F)(F)F)([OH2])(OC(=O)C(F)(F)F)[N](C)(Cc2cccc(c12)CN(C)C)C
• Title of publication: Synthesis of [{2,6-(Me2NCH2)2C6H3}Sn(OH)O]6: an N→Sn Coordinated Stannonic Acid
• Authors of publication: Bouška, Marek; Dostál, Libor; Jirásko, Robert; Růžička, Aleš; Jambor, Roman
• Journal of publication: Organometallics
• Year of publication: 2009
• Journal volume: 28
• Journal issue: 15
• Pages of publication: 4258
• a: 15.1081 ± 0.001 Å
• b: 9.0712 ± 0.0009 Å
• c: 18.4858 ± 0.0017 Å
• α: 90°
• β: 108.624 ± 0.006°
• γ: 90°
• Cell volume: 2400.8 ± 0.4 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 6
• 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: 0.0536
• Residual factor for significantly intense reflections: 0.0357
• Weighted residual factors for significantly intense reflections: 0.0735
• Weighted residual factors for all reflections included in the refinement: 0.0832
• Goodness-of-fit parameter for all reflections included in the refinement: 1.075
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No