Information card for entry 4072320

Structure parameters

• Chemical name: Ti2(O2NN')2(u-NNMe2)2 . 0.5(C5H12)
• Formula: C54.5 H70 N8 O4 Ti2
• Calculated formula: C54.5 H70 N8 O4 Ti2
• 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: 14.1398 ± 0.0001 Å
• b: 20.4771 ± 0.0002 Å
• c: 23.2038 ± 0.0002 Å
• α: 71.222 ± 0.0003°
• β: 89.4679 ± 0.0003°
• γ: 71.0947 ± 0.0004°
• Cell volume: 5983.79 ± 0.09 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0955
• Residual factor for significantly intense reflections: 0.0636
• Weighted residual factors for all reflections: 0.0884
• Weighted residual factors for significantly intense reflections: 0.0712
• Weighted residual factors for all reflections included in the refinement: 0.0712
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0513
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No