Information card for entry 4310029

Structure parameters

• Chemical name: Ti(NNPh2)Cl2{(HC(Me2pz)3}
• Formula: C40 H44 Cl2 N8 Ti
• Calculated formula: C40 H44 Cl2 N8 Ti
• 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: 9.6913 ± 0.0002 Å
• b: 13.979 ± 0.0003 Å
• c: 14.1852 ± 0.0003 Å
• α: 80.3636 ± 0.0009°
• β: 88.1593 ± 0.0009°
• γ: 86.2151 ± 0.0011°
• Cell volume: 1890.05 ± 0.07 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: 2
• Hermann-Mauguin space group symbol: P -1
• Hall space group symbol: -P 1
• Residual factor for all reflections: 0.0782
• Residual factor for significantly intense reflections: 0.039
• Weighted residual factors for all reflections: 0.0722
• Weighted residual factors for significantly intense reflections: 0.0452
• Weighted residual factors for all reflections included in the refinement: 0.0452
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0999
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Duplicate of: 4310003
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No