Information card for entry 4305444

Structure parameters

• Formula: C24 H16 Au2 N8 Pb
• Calculated formula: C24 H16 Au2 N8 Pb
• SMILES: c1[n](c(ccc1)c1[n]2cccc1)[Pb]21([N]#C[Au]C#N)([N]#C[Au]C#N)[n]2ccccc2c2cccc[n]12
• Title of publication: Structural and Spectroscopic Impact of Tuning the Stereochemical Activity of the Lone Pair in Lead(II) Cyanoaurate Coordination Polymers via Ancillary Ligands
• Authors of publication: Michael J. Katz; Vladimir K. Michaelis; Pedro M. Aguilar; Renante Yson; Haiyan Lu; Harini Kaluarachchi; Raymond J. Batchelor; Georg Schreckenbach; Scott Kroeker; Howard H. Patterson; Daniel B. Leznoff
• Journal of publication: Inorganic Chemistry
• Year of publication: 2008
• Journal volume: 47
• Pages of publication: 6353 - 6363
• a: 10.4838 ± 0.0013 Å
• b: 8.8934 ± 0.0007 Å
• c: 13.3141 ± 0.0015 Å
• α: 90°
• β: 92.777 ± 0.01°
• γ: 90°
• Cell volume: 1239.9 ± 0.2 ų
• Cell temperature: 293 K
• Ambient diffraction temperature: 293 K
• Number of distinct elements: 5
• Space group number: 13
• Hermann-Mauguin space group symbol: P 1 2/n 1
• Hall space group symbol: -P 2yac
• Residual factor for all reflections: 0.0713
• Residual factor for significantly intense reflections: 0.0327
• Weighted residual factors for all reflections: 0.0352
• Weighted residual factors for significantly intense reflections: 0.0319
• Weighted residual factors for all reflections included in the refinement: 0.0319
• Goodness-of-fit parameter for all reflections included in the refinement: 1.3728
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No