Information card for entry 4072318

Structure parameters

• Chemical name: Ti(NNPh2)(N2N_C3Me)(py)
• Formula: C30 H48 N6 Si2 Ti
• Calculated formula: C30 H48 N6 Si2 Ti
• SMILES: [Ti]12(=NN(c3ccccc3)c3ccccc3)(N([Si](C)(C)C)CCC[N]2(CCCN1[Si](C)(C)C)C)[n]1ccccc1
• Title of publication: Titanium Hydrazides Supported by Diamide-Amine and Related Ligands: A Combined Experimental and DFT Study
• Authors of publication: Selby, Jonathan D.; Manley, Catherine D.; Schwarz, Andrew D.; Clot, Eric; Mountford, Philip
• Journal of publication: Organometallics
• Year of publication: 2008
• Journal volume: 27
• Journal issue: 24
• Pages of publication: 6479
• a: 11.5182 ± 0.0002 Å
• b: 14.5639 ± 0.0003 Å
• c: 20.0751 ± 0.0004 Å
• α: 90°
• β: 100.681 ± 0.0008°
• γ: 90°
• Cell volume: 3309.25 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.0598
• Residual factor for significantly intense reflections: 0.0429
• Weighted residual factors for all reflections: 0.0396
• Weighted residual factors for significantly intense reflections: 0.0387
• Weighted residual factors for all reflections included in the refinement: 0.0387
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0519
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No