Information card for entry 4085038

Structure parameters

• Formula: C48 H48 Cl2 Pb
• Calculated formula: C48 H48 Cl2 Pb
• SMILES: [Pb](c1c(cc(Cl)cc1c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C)c1c(c2c(cc(cc2C)C)C)cc(Cl)cc1c1c(cc(cc1C)C)C
• Title of publication: Influence of Ligand Modifications on Structural and Spectroscopic Properties in Terphenyl Based Heavier Group 14 Carbene Homologues
• Authors of publication: Wilfling, Petra; Schittelkopf, Kathrin; Flock, Michaela; Herber, Rolfe H.; Power, Philip P.; Fischer, Roland C.
• Journal of publication: Organometallics
• Year of publication: 2015
• Journal volume: 34
• Journal issue: 11
• Pages of publication: 2222
• a: 11.1869 ± 0.0005 Å
• b: 14.369 ± 0.0006 Å
• c: 24.6932 ± 0.001 Å
• α: 90°
• β: 96.881 ± 0.001°
• γ: 90°
• Cell volume: 3940.7 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• 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: 0.0211
• Residual factor for significantly intense reflections: 0.0172
• Weighted residual factors for significantly intense reflections: 0.0403
• Weighted residual factors for all reflections included in the refinement: 0.0497
• Goodness-of-fit parameter for all reflections included in the refinement: 1.139
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No