Information card for entry 7105135

Structure parameters

• Chemical name: Ti(N2NMe){NC(ArF)NNPh2}(py)
• Formula: C35 H44 F5 N7 Si2 Ti
• Calculated formula: C35 H44 F5 N7 Si2 Ti
• SMILES: [Ti]12(=NC(=NN(c3ccccc3)c3ccccc3)c3c(c(c(c(c3F)F)F)F)F)(N(CC[N]2(CCN1[Si](C)(C)C)C)[Si](C)(C)C)[n]1ccccc1
• Title of publication: Single and double substrate insertion into the Ti=N(alpha) bonds of terminal titanium hydrazides.
• Authors of publication: Tiong, Pei-Jen; Schofield, A Daniel; Selby, Jonathan D; Nova, Ainara; Clot, Eric; Mountford, Philip
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2009
• Journal volume: 46
• Journal issue: 1
• Pages of publication: 85 - 87
• a: 13.7067 ± 0.0002 Å
• b: 18.2074 ± 0.0002 Å
• c: 15.3084 ± 0.0002 Å
• α: 90°
• β: 93.8645 ± 0.0006°
• γ: 90°
• Cell volume: 3811.73 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.0426
• Residual factor for significantly intense reflections: 0.0348
• Weighted residual factors for all reflections: 0.0397
• Weighted residual factors for significantly intense reflections: 0.0343
• Weighted residual factors for all reflections included in the refinement: 0.0335
• Goodness-of-fit parameter for all reflections included in the refinement: 1.1133
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No