Information card for entry 4084820

Structure parameters

• Formula: C43 H44 N2 O5 Sn W
• Calculated formula: C43 H44 N2 O5 Sn W
• SMILES: [W]([Sn]12([N](=Cc3c1cccc3)c1c(cccc1C(C)C)C(C)C)[N](c1c(cccc1C(C)C)C(C)C)=Cc1c2cccc1)(C#[O])(C#[O])(C#[O])(C#[O])C#[O]
• 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: 14.293 ± 0.0012 Å
• b: 17.7981 ± 0.0013 Å
• c: 31.814 ± 0.0014 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 8093.1 ± 1 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0626
• Residual factor for significantly intense reflections: 0.0358
• Weighted residual factors for significantly intense reflections: 0.0643
• Weighted residual factors for all reflections included in the refinement: 0.0739
• Goodness-of-fit parameter for all reflections included in the refinement: 1.181
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No