Information card for entry 4320677

Structure parameters

• Formula: C30 H50 N10 Ti
• Calculated formula: C30 H50 N10 Ti
• Title of publication: Early Transition Metal Complexes Containing 1,2,4-Triazolato and Tetrazolato Ligands: Synthesis, Structure, and Molecular Orbital Studies
• Authors of publication: Carlos Yélamos; Karl R. Gust; Anwar G. Baboul; Mary Jane Heeg; H. Bernhard Schlegel; Charles H. Winter
• Journal of publication: Inorganic Chemistry
• Year of publication: 2001
• Journal volume: 40
• Pages of publication: 6451 - 6462
• a: 33.981 ± 0.002 Å
• b: 16.2356 ± 0.0008 Å
• c: 23.0511 ± 0.0011 Å
• α: 90°
• β: 121.616 ± 0.001°
• γ: 90°
• Cell volume: 10829.8 ± 1 ų
• Cell temperature: 295 ± 2 K
• Ambient diffraction temperature: 295 ± 2 K
• Number of distinct elements: 4
• 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: 0.1284
• Residual factor for significantly intense reflections: 0.0555
• Weighted residual factors for all reflections: 0.1676
• Weighted residual factors for significantly intense reflections: 0.1366
• Goodness-of-fit parameter for all reflections: 0.91
• Goodness-of-fit parameter for significantly intense reflections: 1.045
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No