Information card for entry 4310000

Structure parameters

• Chemical name: Ti2(NNMe2)2Cl4(NHMe2)2
• Formula: C8 H26 Cl4 N6 Ti2
• Calculated formula: C8 H26 Cl4 N6 Ti2
• SMILES: [Ti]12(Cl)(Cl)([N]3=[N](C)(C)[Ti]423([N]1=[N]4(C)C)(Cl)Cl)([NH](C)C)[NH](C)C
• 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: 8.9547 ± 0.0002 Å
• b: 14.4471 ± 0.0003 Å
• c: 15.0142 ± 0.0004 Å
• α: 90°
• β: 94.5104 ± 0.0009°
• γ: 90°
• Cell volume: 1936.36 ± 0.08 ų
• Cell temperature: 150 K
• Ambient diffraction temperature: 150 K
• Sample thermal history: The material was crystallised at ambient temperature. A suitable crystal was cooled rapidly to 150K for single-crystal X-ray diffraction analysis.
• Number of distinct elements: 5
• 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: 0.053
• Residual factor for significantly intense reflections: 0.031
• Weighted residual factors for all reflections: 0.0518
• Weighted residual factors for significantly intense reflections: 0.0357
• Weighted residual factors for all reflections included in the refinement: 0.0357
• Goodness-of-fit parameter for all reflections included in the refinement: 1.065
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No