Information card for entry 4085034

Structure parameters

• Formula: C60 H74 Sn
• Calculated formula: C60 H74 Sn
• SMILES: [Sn](c1c(c(cc(c1c1c(cc(cc1C)C)C)C(C)C)C(C)C)c1c(cc(cc1C)C)C)c1c(c(cc(c1c1c(cc(cc1C)C)C)C(C)C)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: 12.1146 ± 0.0012 Å
• b: 12.274 ± 0.0012 Å
• c: 20.41 ± 0.002 Å
• α: 101.839 ± 0.002°
• β: 93.482 ± 0.002°
• γ: 117.846 ± 0.001°
• Cell volume: 2583 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 3
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0917
• Residual factor for significantly intense reflections: 0.0606
• Weighted residual factors for significantly intense reflections: 0.0973
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 1.083
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No