Information card for entry 4310002

Structure parameters

• Chemical name: Ti2(NNMe2)2Cl4(py)2
• Formula: C14 H22 Cl4 N6 Ti2
• Calculated formula: C14 H22 Cl4 N6 Ti2
• SMILES: c1cccc[n]1[Ti]12(N3[N](C)(C)[Ti]423(N1[N]4(C)C)(Cl)Cl)(Cl)([n]1ccccc1)Cl
• Title of publication: Synthesis, Structures, and DFT Bonding Analysis of New Titanium Hydrazido(2-) Complexes
• Authors of publication: Thomas B. Parsons; Nilay Hazari; Andrew R. Cowley; Jennifer C. Green; Philip Mountford
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Pages of publication: 8442 - 8458
• a: 15.2735 ± 0.0004 Å
• b: 9.9708 ± 0.0003 Å
• c: 14.6349 ± 0.0004 Å
• α: 90°
• β: 90.6119 ± 0.0013°
• γ: 90°
• Cell volume: 2228.61 ± 0.11 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 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: 0.0719
• Residual factor for significantly intense reflections: 0.0581
• Weighted residual factors for all reflections: 0.0512
• Weighted residual factors for significantly intense reflections: 0.0484
• Weighted residual factors for all reflections included in the refinement: 0.0484
• Goodness-of-fit parameter for all reflections included in the refinement: 0.9954
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No