Information card for entry 7001553

Structure parameters

• Formula: C72 H81 N3 Sb4 Ti3
• Calculated formula: C72 H81 N3 Sb4 Ti3
• Title of publication: Polynuclear titanocene complexes with antimony ligands: [(Cp2Ti)2(SbR2)2] (R = Et), [(Cp2Ti)3(SbR)3Sb] [R = 2-(Me2NCH2)C6H4] and [(Cp2Ti)5(SbR)2Sb7] (R = Me3SiCH2)
• Authors of publication: Breunig, Hans J.; Lork, Enno; Moldovan, Ovidiu; Raţ, Ciprian I.; Rosenthal, Uwe; Silvestru, Cristian
• Journal of publication: Dalton Transactions
• Year of publication: 2009
• Journal issue: 26
• Pages of publication: 5065 - 5067
• a: 15.2155 ± 0.0014 Å
• b: 15.2155 ± 0.0014 Å
• c: 50.767 ± 0.006 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 10178.5 ± 1.8 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0528
• Residual factor for significantly intense reflections: 0.041
• Weighted residual factors for significantly intense reflections: 0.0946
• Weighted residual factors for all reflections included in the refinement: 0.0993
• Goodness-of-fit parameter for all reflections included in the refinement: 1.027
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No