Information card for entry 7103700

Structure parameters

• Formula: C39.5 H68 B18 N8 O Ti3
• Calculated formula: C39.5 H68 B18 N8 O Ti3
• Title of publication: Novel titanium complexes of a multidentate dicarbollide ligand. Synthesis and structural characterization of a constrained geometry complex
• Authors of publication: Lee, Young-Joo; Lee, Jong-Dae; Ko, Jaejung; Kim, Sang-Hern; Kang, Sang Ook
• Journal of publication: Chemical Communications (Cambridge, United Kingdom)
• Year of publication: 2003
• Journal issue: 12
• Pages of publication: 1364 - 1365
• a: 12.5957 ± 0.0012 Å
• b: 13.0482 ± 0.0014 Å
• c: 18.3677 ± 0.0013 Å
• α: 80.984 ± 0.007°
• β: 82.147 ± 0.007°
• γ: 80.152 ± 0.009°
• Cell volume: 2918.8 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 6
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.4496
• Residual factor for significantly intense reflections: 0.1233
• Weighted residual factors for significantly intense reflections: 0.2339
• Weighted residual factors for all reflections included in the refinement: 0.3296
• Goodness-of-fit parameter for all reflections included in the refinement: 0.965
• Diffraction radiation wavelength: 0.7107 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No