Information card for entry 4084817

Structure parameters

• Formula: C21 H24 Cl N O2 Sn
• Calculated formula: C21 H24 Cl N O2 Sn
• SMILES: [Sn]1(Cl)[N](c2c(C(C)C)cccc2C(C)C)=C(c2ccc3OCOc3c12)C
• Title of publication: Intramolecularly C,N-Coordinated Homo- and Heteroleptic Organostannylenes
• Authors of publication: Novák, Miroslav; Bouška, Marek; Dostál, Libor; Růžička, Aleš; Jambor, Roman
• Journal of publication: Organometallics
• Year of publication: 2014
• Journal volume: 33
• Journal issue: 23
• Pages of publication: 6778
• a: 14.7352 ± 0.0004 Å
• b: 63.653 ± 0.002 Å
• c: 8.5369 ± 0.0005 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8007.1 ± 0.6 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 43
• Hermann-Mauguin space group symbol: F d d 2
• Hall space group symbol: F 2 -2d
• Residual factor for all reflections: 0.0339
• Residual factor for significantly intense reflections: 0.0305
• Weighted residual factors for significantly intense reflections: 0.0689
• Weighted residual factors for all reflections included in the refinement: 0.0707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.058
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No