Information card for entry 7011756

Structure parameters

• Formula: C31.94 H54.94 Cl0.15 N2 P2 Ti
• Calculated formula: C31.943 H54.943 Cl0.151 N2 P2 Ti
• Title of publication: Ansa-di(phosphaneiminato)titanium chelates: novel isolobal analogues of ansa-titanocene derivatives
• Authors of publication: Ulrich Siemeling; Lars Kölling; Anja Stammler; Hans-Georg Stammler
• Journal of publication: J. Chem. Soc., Dalton Trans.
• Year of publication: 2002
• Journal issue: 17
• Pages of publication: 3277 - 3279
• a: 17.675 ± 0.0004 Å
• b: 16.695 ± 0.0004 Å
• c: 23.007 ± 0.0006 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 6789 ± 0.3 ų
• Cell temperature: 103 ± 2 K
• Ambient diffraction temperature: 100 ± 2 K
• Number of distinct elements: 6
• Space group number: 61
• Hermann-Mauguin space group symbol: P b c a
• Hall space group symbol: -P 2ac 2ab
• Residual factor for all reflections: 0.0962
• Residual factor for significantly intense reflections: 0.0495
• Weighted residual factors for significantly intense reflections: 0.1057
• Weighted residual factors for all reflections included in the refinement: 0.1226
• Goodness-of-fit parameter for all reflections included in the refinement: 1.011
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No