Information card for entry 4085041

Structure parameters

• Formula: C54 H66 Pb Si2
• Calculated formula: C54 H66 Pb Si2
• SMILES: c1(c(cc(cc1c1c(cc(cc1C)C)C)[Si](C)(C)C)c1c(cc(cc1C)C)C)[Pb]c1c(cc(cc1c1c(cc(cc1C)C)C)[Si](C)(C)C)c1c(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: 15.4042 ± 0.0004 Å
• b: 15.4042 ± 0.0004 Å
• c: 21.604 ± 0.0008 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 5126.4 ± 0.3 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 86
• Hermann-Mauguin space group symbol: P 42/n :2
• Hall space group symbol: -P 4bc
• Residual factor for all reflections: 0.04
• Residual factor for significantly intense reflections: 0.0209
• Weighted residual factors for significantly intense reflections: 0.0414
• Weighted residual factors for all reflections included in the refinement: 0.0536
• Goodness-of-fit parameter for all reflections included in the refinement: 1.195
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No