Information card for entry 7219163

Structure parameters

• Formula: C30 H36 N8 Ti
• Calculated formula: C30 H36 N8 Ti
• SMILES: [Ti]12([n]3cc4n(c3c3n1ccc3)cccc4)([n]1c(n3ccccc3c1)c1n2ccc1)(N(CC)CC)N(CC)CC
• Title of publication: Titanium complexes supported by imidazo[1,5-a]pyridine-containing pyrrolyl ligand as catalysts for hydroamination and polymerization reactions, and as antitumor reagent
• Authors of publication: Liu, Jinna; Cao, Yuhua; Li, Lei; Pei, Hao; Chen, Yanmei; Hu, Jinfa; Qin, Yaru; Li, Yahong; Li, Wu; Liu, Wei
• Journal of publication: RSC Adv.
• Year of publication: 2014
• a: 23.01 ± 0.009 Å
• b: 13.712 ± 0.005 Å
• c: 21.228 ± 0.009 Å
• α: 90°
• β: 115.456 ± 0.007°
• γ: 90°
• Cell volume: 6047 ± 4 ų
• Cell temperature: 296 ± 2 K
• Ambient diffraction temperature: 296 ± 2 K
• Number of distinct elements: 4
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/c 1
• Hall space group symbol: -P 2ybc
• Residual factor for all reflections: 0.129
• Residual factor for significantly intense reflections: 0.0507
• Weighted residual factors for significantly intense reflections: 0.1111
• Weighted residual factors for all reflections included in the refinement: 0.1438
• Goodness-of-fit parameter for all reflections included in the refinement: 0.95
• Diffraction radiation wavelength: 0.71073 Å
• Diffraction radiation type: MoKα
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No