Information card for entry 1516835

Structure parameters

• Formula: C76 H48 Cl4 N8 O12 Pb4 S4
• Calculated formula: C76 H48 Cl4 N8 O12 Pb4 S4
• SMILES: [Pb]1234([n]5c6c(cccc6ccc5)[O]52[Pb]2678([n]9c%10c(ccc9)cccc%10[O]12[Pb]129%10([n]%11c%12c(ccc%11)cccc%12[O]1[Pb]15([O]6C(=[O]7)c5sc(cc5)Cl)([n]5c6c(cccc6ccc5)[O]321)OC(=O)c1ccc(s1)Cl)([O]4C(=[O]9)c1sc(cc1)Cl)[n]1c(c2[n]%10cccc2)cccc1)[n]1c(c2[n]8cccc2)cccc1)OC(=O)c1ccc(s1)Cl
• Title of publication: Syntheses and characterization of two novel tetranuclear lead(II) clusters self-assembled by hydrogen bonded interactions
• Authors of publication: Jennifer, Samson; Thomas Muthiah, Packianathan
• Journal of publication: Chemistry Central Journal
• Year of publication: 2014
• Journal volume: 8
• Journal issue: 1
• Pages of publication: 39
• a: 11.6469 ± 0.0004 Å
• b: 12.2824 ± 0.0004 Å
• c: 14.1122 ± 0.0004 Å
• α: 82.427 ± 0.002°
• β: 72.489 ± 0.002°
• γ: 84.915 ± 0.002°
• Cell volume: 1905.87 ± 0.11 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 7
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0804
• Residual factor for significantly intense reflections: 0.0381
• Weighted residual factors for significantly intense reflections: 0.0878
• Weighted residual factors for all reflections included in the refinement: 0.1054
• Goodness-of-fit parameter for all reflections included in the refinement: 1.013
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No