Information card for entry 4084819

Structure parameters

• Formula: C38 H44 N2 Pb
• Calculated formula: C38 H44 N2 Pb
• SMILES: [Pb]12([N](=Cc3c1cccc3)c1c(C(C)C)cccc1C(C)C)c1c(C=[N]2c2c(C(C)C)cccc2C(C)C)cccc1
• 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: 11.0611 ± 0.001 Å
• b: 12.026 ± 0.001 Å
• c: 26.366 ± 0.0015 Å
• α: 90°
• β: 105.567 ± 0.007°
• γ: 90°
• Cell volume: 3378.6 ± 0.5 ų
• Cell temperature: 150 ± 1 K
• Ambient diffraction temperature: 150 ± 1 K
• Number of distinct elements: 4
• 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: 0.041
• Residual factor for significantly intense reflections: 0.0285
• Weighted residual factors for significantly intense reflections: 0.053
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.167
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No