Information card for entry 7004573

Structure parameters

• Formula: C27 H40 N2 Pb
• Calculated formula: C27 H40 N2 Pb
• SMILES: [Pb]1N(c2c(cccc2C(C)C)C(C)C)CCCN1c1c(cccc1C(C)C)C(C)C
• Title of publication: Syntheses and molecular structures of some saturated N-heterocyclic plumbylenes
• Authors of publication: Charmant, Jonathan P. H.; Haddow, Mairi F.; Hahn, F. Ekkehardt; Heitmann, Dennis; Fröhlich, Roland; Mansell, Stephen M.; Russell, Christopher A.; Wass, Duncan F.
• Journal of publication: Dalton Transactions
• Year of publication: 2008
• Journal issue: 43
• Pages of publication: 6055 - 6059
• a: 12.9865 ± 0.0017 Å
• b: 14.1072 ± 0.0018 Å
• c: 14.7915 ± 0.0019 Å
• α: 90°
• β: 95.445 ± 0.002°
• γ: 90°
• Cell volume: 2697.6 ± 0.6 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0797
• Residual factor for significantly intense reflections: 0.0424
• Weighted residual factors for significantly intense reflections: 0.0836
• Weighted residual factors for all reflections included in the refinement: 0.096
• Goodness-of-fit parameter for all reflections included in the refinement: 1.002
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No