Information card for entry 7051898

Structure parameters

• Formula: C31 H48 N3 Tl
• Calculated formula: C31 H48 N3 Tl
• SMILES: [Tl]N(C(=Nc1c(cccc1C(C)C)C(C)C)N(C(C)C)C(C)C)c1c(cccc1C(C)C)C(C)C
• Title of publication: Group 13 metal(i) and (ii) guanidinate complexes: effect of ligand backbone on metal oxidation state and coordination sphere
• Authors of publication: Jin, Guoxia; Jones, Cameron; Junk, Peter C.; Stasch, Andreas; Woodul, William D.
• Journal of publication: New Journal of Chemistry
• Year of publication: 2008
• Journal volume: 32
• Journal issue: 5
• Pages of publication: 835
• a: 14.425 ± 0.003 Å
• b: 11.625 ± 0.002 Å
• c: 18.247 ± 0.004 Å
• α: 90°
• β: 104.28 ± 0.03°
• γ: 90°
• Cell volume: 2965.3 ± 1.1 ų
• Cell temperature: 150 ± 2 K
• Ambient diffraction temperature: 150 ± 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: 0.0348
• Residual factor for significantly intense reflections: 0.0269
• Weighted residual factors for significantly intense reflections: 0.0549
• Weighted residual factors for all reflections included in the refinement: 0.0575
• Goodness-of-fit parameter for all reflections included in the refinement: 1.026
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No