Information card for entry 4112200

Structure parameters

• Common name: Ti(NHNC5H10)2(dpma)
• Formula: C22 H35 Cl2 N7 Ti
• Calculated formula: C22 H35 Cl2 N7 Ti
• SMILES: [Ti]1234(n5cccc5C[N]2(Cc2n1ccc2)C)(=N[N]13CCCCC1)=N[N]14CCCCC1.C(Cl)Cl
• Title of publication: Titanium Hydrazido and Imido Complexes: Synthesis, Structure, Reactivity, and Relevance to Alkyne Hydroamination
• Authors of publication: Yahong Li; Yanhui Shi; Aaron L. Odom
• Journal of publication: Journal of the American Chemical Society
• Year of publication: 2004
• Journal volume: 126
• Pages of publication: 1794 - 1803
• a: 20.186 ± 0.005 Å
• b: 10.166 ± 0.002 Å
• c: 25.483 ± 0.006 Å
• α: 90°
• β: 99.8 ± 0.005°
• γ: 90°
• Cell volume: 5153 ± 2 ų
• Cell temperature: 173 ± 2 K
• Ambient diffraction temperature: 173 ± 2 K
• Number of distinct elements: 5
• Space group number: 15
• Hermann-Mauguin space group symbol: C 1 2/c 1
• Hall space group symbol: -C 2yc
• Residual factor for all reflections: 0.0956
• Residual factor for significantly intense reflections: 0.0421
• Weighted residual factors for significantly intense reflections: 0.0922
• Weighted residual factors for all reflections included in the refinement: 0.1056
• Goodness-of-fit parameter for all reflections included in the refinement: 0.918
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No