Information card for entry 4074368

Structure parameters

• Formula: C30 H54 N6 O2 Ti
• Calculated formula: C30 H54 N6 O2 Ti
• Title of publication: Group 4 Bis(pyrimidinoxide) Complexes. Investigations of Electronic Effects in Catalytic Hydroamination
• Authors of publication: Lee, Alison V.; Schafer, Laurel L.
• Journal of publication: Organometallics
• Year of publication: 2006
• Journal volume: 25
• Journal issue: 22
• Pages of publication: 5249
• a: 10.571 ± 0.0008 Å
• b: 17.7226 ± 0.0014 Å
• c: 17.9379 ± 0.0015 Å
• α: 90°
• β: 90°
• γ: 90°
• Cell volume: 3360.6 ± 0.5 ų
• Cell temperature: 293 ± 2 K
• Ambient diffraction temperature: 293 ± 2 K
• Number of distinct elements: 5
• Space group number: 33
• Hermann-Mauguin space group symbol: P c 21 n
• Hall space group symbol: P -2n -2ac
• Residual factor for all reflections: 0.0518
• Residual factor for significantly intense reflections: 0.0388
• Weighted residual factors for significantly intense reflections: 0.0987
• Weighted residual factors for all reflections included in the refinement: 0.1057
• Goodness-of-fit parameter for all reflections included in the refinement: 1.024
• Diffraction radiation wavelength: 0.7108 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No