Information card for entry 7719372

Structure parameters

• Formula: C2.97 H4.35 N0.07 O0.2 P0.14 Ti0.07
• Calculated formula: C2.97312 H4.34705 N0.0677966 O0.20339 P0.135593 Ti0.0677966
• Title of publication: Tripodal bisphenolate-bisphosphine ligands with hybrid hard/soft donors: titanium complexes and dinitrogen activation.
• Authors of publication: Xiong, Chunyan; Zhang, Jinwei; An, Jingyi; Yuan, Zhiqiang; Li, Zhaoxin; Liu, Yanhong; Hu, Shaowei
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 37
• Pages of publication: 14142 - 14149
• a: 24.56 ± 0.0002 Å
• b: 11.2381 ± 0.0001 Å
• c: 40.0482 ± 0.0003 Å
• α: 90°
• β: 106.913 ± 0.001°
• γ: 90°
• Cell volume: 10575.5 ± 0.16 ų
• Cell temperature: 100 ± 0.1 K
• Ambient diffraction temperature: 100 ± 0.1 K
• Number of distinct elements: 6
• 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: 0.0645
• Residual factor for significantly intense reflections: 0.0559
• Weighted residual factors for significantly intense reflections: 0.1487
• Weighted residual factors for all reflections included in the refinement: 0.1541
• Goodness-of-fit parameter for all reflections included in the refinement: 1.032
• Diffraction radiation probe: x-ray
• Diffraction radiation wavelength: 1.54184 Å
• Diffraction radiation type: CuKα
• Has coordinates: Yes
• Has disorder: Yes
• Has Fobs: No