Information card for entry 4085036

Structure parameters

• Formula: C48 H48 Cl2 Ge
• Calculated formula: C48 H48 Cl2 Ge
• SMILES: [Ge](c1c(c2c(C)cc(C)cc2C)cc(Cl)cc1c1c(C)cc(cc1C)C)c1c(cc(Cl)cc1c1c(cc(cc1C)C)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: 11.8629 ± 0.0014 Å
• b: 12.4867 ± 0.0013 Å
• c: 14.7734 ± 0.0015 Å
• α: 77.449 ± 0.004°
• β: 68.731 ± 0.004°
• γ: 82.535 ± 0.004°
• Cell volume: 1987.4 ± 0.4 ų
• Cell temperature: 100 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 4
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0442
• Residual factor for significantly intense reflections: 0.0296
• Weighted residual factors for significantly intense reflections: 0.068
• Weighted residual factors for all reflections included in the refinement: 0.0775
• Goodness-of-fit parameter for all reflections included in the refinement: 1.08
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No