Information card for entry 4301058

Structure parameters

• Chemical name: Ti(NC6Cl4H)Cl2(NHMe2)2 . 0.5(C6H6)
• Formula: C13 H18 Cl6 N3 Ti
• Calculated formula: C13 H18 Cl6 N3 Ti
• Title of publication: New Titanium Imido Synthons: Syntheses and Supramolecular Structures
• Authors of publication: Adams, Nico; Bigmore, Helen R.; Blundell, Timothy L.; Boyd, Catherine L.; Dubberley, Stuart R.; Sealey, Andrew J.; Cowley, Andrew R.; Skinner, Michael E. G.; Mountford, Philip
• Journal of publication: Inorganic Chemistry
• Year of publication: 2005
• Journal volume: 44
• Journal issue: 8
• Pages of publication: 2882 - 2894
• a: 7.3945 ± 0.0001 Å
• b: 12.7544 ± 0.0002 Å
• c: 12.9622 ± 0.0002 Å
• α: 115.61 ± 0.0009°
• β: 90.7721 ± 0.0008°
• γ: 106.112 ± 0.001°
• Cell volume: 1046.45 ± 0.03 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: 0.0489
• Residual factor for significantly intense reflections: 0.0341
• Weighted residual factors for all reflections: 0.0521
• Weighted residual factors for significantly intense reflections: 0.0408
• Weighted residual factors for all reflections included in the refinement: 0.0408
• Goodness-of-fit parameter for all reflections included in the refinement: 1.0539
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No