Information card for entry 7711284

Structure parameters

• Formula: C44 H72 Na2 O4 Pb Si2
• Calculated formula: C44 H72 Na2 O4 Pb Si2
• SMILES: [Pb]1[C]23([Si](C)(C(C)(C)C)C)[Na]45([O]6CCCC6)([C]6=2([C]24([Na]36([O]3CCCC3)([O]3CCCC3)[C]15=2[Si](C)(C)C(C)(C)C)c1ccccc1)c1ccccc1)[O]1CCCC1
• Title of publication: Expanding the Series of Alkali Metal Plumbolyl Complexes to Na and K
• Authors of publication: Diaz-Rodriguez, Roberto; Kitos, Alexandros; Murugesu, Muralee
• Journal of publication: Dalton Transactions
• Year of publication: 2022
• a: 23.3878 ± 0.0017 Å
• b: 10.5283 ± 0.0008 Å
• c: 20.5795 ± 0.0016 Å
• α: 90°
• β: 107.77 ± 0.002°
• γ: 90°
• Cell volume: 4825.6 ± 0.6 ų
• Cell temperature: 203.15 K
• Ambient diffraction temperature: 203.15 K
• Number of distinct elements: 6
• 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: 0.0328
• Residual factor for significantly intense reflections: 0.022
• Weighted residual factors for significantly intense reflections: 0.0465
• Weighted residual factors for all reflections included in the refinement: 0.0496
• Goodness-of-fit parameter for all reflections included in the refinement: 1.023
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No