Information card for entry 7009950

Structure parameters

• Formula: C22.5 H28 Na O1.5 Pb
• Calculated formula: C22.5 H28 Na O1.5 Pb
• SMILES: [Pb+2].[Na+].O1C(C[c-]2cccc2)CCC1.[c-]1cccc1.[c-]1cccc1.O1CCCC1
• Title of publication: Synthesis and structure of [Cp2PbCpthf Na]·0.5thf; implications to the control of dimensionality in p block metallocene anion systems (Cp = C5H5, Cpthf = {C5H4}CH2C4H7O)
• Authors of publication: Feeder, Neil; Hopkins, Alexander D.; Layfield, Richard A.; Wright, Dominic S.
• Journal of publication: Journal of the Chemical Society, Dalton Transactions
• Year of publication: 2000
• Journal issue: 14
• Pages of publication: 2247
• a: 9.1145 ± 0.0008 Å
• b: 15.798 ± 0.002 Å
• c: 15.006 ± 0.001 Å
• α: 90°
• β: 92.23 ± 0.005°
• γ: 90°
• Cell volume: 2159.1 ± 0.4 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 2 K
• Number of distinct elements: 5
• 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: 0.0838
• Residual factor for significantly intense reflections: 0.0676
• Weighted residual factors for all reflections: 0.195
• Weighted residual factors for significantly intense reflections: 0.1786
• Goodness-of-fit parameter for all reflections: 1.068
• Goodness-of-fit parameter for significantly intense reflections: 1.092
• Diffraction radiation wavelength: 0.71069 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No