Information card for entry 7105321

Structure parameters

• Formula: C64 H108 As4 O2 Pb4 Si4
• Calculated formula: C64 H108 As4 O2 Pb4 Si4
• SMILES: [Si]([As]12[Pb]3[As]4([Si](C(C)(C)C)(C(C)(C)C)c5ccccc5)[Pb]1[As]1([Si](C(C)(C)C)(C(C)(C)C)c5ccccc5)[Pb]4[As]3([Si](C(C)(C)C)(C(C)(C)C)c3ccccc3)[Pb]21)(C(C)(C)C)(C(C)(C)C)c1ccccc1.O1CCCC1.O1CCCC1
• Title of publication: Synthesis of molecular lead-pnictogen compounds including [Pb4(SbSiiPr3)6], the first structurally characterised compound with a lead-antimony bond.
• Authors of publication: Traut, Stephan; von Hänisch, Carsten
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2010
• Journal volume: 46
• Journal issue: 9
• Pages of publication: 1538 - 1540
• a: 14.324 ± 0.003 Å
• b: 16.404 ± 0.003 Å
• c: 18.63 ± 0.004 Å
• α: 66.81 ± 0.03°
• β: 71.53 ± 0.03°
• γ: 81.69 ± 0.03°
• Cell volume: 3815.5 ± 1.3 ų
• Cell temperature: 180 ± 2 K
• Ambient diffraction temperature: 180 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0538
• Residual factor for significantly intense reflections: 0.043
• Weighted residual factors for significantly intense reflections: 0.1123
• Weighted residual factors for all reflections included in the refinement: 0.1208
• Goodness-of-fit parameter for all reflections included in the refinement: 0.869
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No