Information card for entry 4072643

Structure parameters

• Formula: C100 H98 K N6 O4 Ti2
• Calculated formula: C100 H98 K N6 O4 Ti2
• Title of publication: Reduction of Titanium Supported by aσ-/π-Bonded Tripyrrole Ligand: Ligand C−N Bond Cleavage and Coordination of Olefin and Arene with an Inverse Sandwich Structure
• Authors of publication: Nikiforov, Grigory B.; Crewdson, Patrick; Gambarotta, Sandro; Korobkov, Ilia; Budzelaar, Peter H. M.
• Journal of publication: Organometallics
• Year of publication: 2007
• Journal volume: 26
• Journal issue: 1
• Pages of publication: 48
• a: 14.919 ± 0.005 Å
• b: 17.276 ± 0.006 Å
• c: 18.578 ± 0.007 Å
• α: 105.737 ± 0.006°
• β: 102.825 ± 0.006°
• γ: 107.977 ± 0.006°
• Cell volume: 4132 ± 3 ų
• Cell temperature: 198 ± 2 K
• Ambient diffraction temperature: 198 ± 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: 0.0986
• Residual factor for significantly intense reflections: 0.0625
• Weighted residual factors for significantly intense reflections: 0.151
• Weighted residual factors for all reflections included in the refinement: 0.1707
• Goodness-of-fit parameter for all reflections included in the refinement: 1.039
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No