Information card for entry 4085037

Structure parameters

• Formula: C48 H48 Cl2 Sn
• Calculated formula: C48 H48 Cl2 Sn
• SMILES: [Sn](c1c(cc(Cl)cc1c1c(C)cc(cc1C)C)c1c(cc(cc1C)C)C)c1c(cc(Cl)cc1c1c(cc(C)cc1C)C)c1c(C)cc(cc1C)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: 11.2082 ± 0.0004 Å
• b: 14.3654 ± 0.0005 Å
• c: 24.5106 ± 0.0009 Å
• α: 90°
• β: 96.432 ± 0.002°
• γ: 90°
• Cell volume: 3921.6 ± 0.2 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: 0.0662
• Residual factor for significantly intense reflections: 0.0423
• Weighted residual factors for significantly intense reflections: 0.0761
• Weighted residual factors for all reflections included in the refinement: 0.0807
• Goodness-of-fit parameter for all reflections included in the refinement: 1.047
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No