Information card for entry 7103464

Structure parameters

• Chemical name: Ti2(N2Npy)2{u-N(NPh2)C(Me)N}2 . 0.8 C6H6
• Formula: C62.8 H88.8 N12 Si4 Ti2
• Calculated formula: C62.8 H88.8 N12 Si4 Ti2
• Title of publication: Cycloaddition reactions of transition metal hydrazides with alkynes and heteroalkynes: coupling of Ti=NNPh2 with PhCCMe, PhCCH, MeCN and tBuCP.
• Authors of publication: Selby, Jonathan D; Schulten, Christian; Schwarz, Andrew D; Stasch, Andreas; Clot, Eric; Jones, Cameron; Mountford, Philip
• Journal of publication: Chemical communications (Cambridge, England)
• Year of publication: 2008
• Journal issue: 41
• Pages of publication: 5101 - 5103
• a: 40.045 ± 0.0003 Å
• b: 40.045 ± 0.0003 Å
• c: 11.2671 ± 0.0001 Å
• α: 90°
• β: 90°
• γ: 120°
• Cell volume: 15647.3 ± 0.2 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Number of distinct elements: 5
• Space group number: 148
• Hermann-Mauguin space group symbol: R -3 :H
• Hall space group symbol: -R 3
• Residual factor for all reflections: 0.0603
• Residual factor for significantly intense reflections: 0.0377
• Weighted residual factors for all reflections: 0.0586
• Weighted residual factors for significantly intense reflections: 0.0453
• Weighted residual factors for all reflections included in the refinement: 0.0453
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0697
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No