Information card for entry 1574185

Structure parameters

• Formula: C43 H52 Cl Hf N3 O6
• Calculated formula: C43 H53 Cl Hf N3 O6
• SMILES: [Hf]12345(Oc6c(cc(cc6C(C)(C)C)C(C)(C)C)C[N]5(Cc5[n]4cccc5)Cc4cc(cc(c4O1)C(C)(C)C)C(C)(C)C)OC(=O)c1[n]3c(cc(Cl)c1)C(=O)O2
• Title of publication: Synthesis and X-ray structure analysis of cytotoxic 2-picolylamino-type Hf^IV-bis-chelated complexes.
• Authors of publication: Zhao, Tiankun; Zhang, Qi; Zhao, Jialiu; Mei, Dongyu; Ma, Jing; Correia, Isabel; Yang, Zhongduo; Kim, Sa-Hyun; Huhn, Thomas
• Journal of publication: Dalton transactions (Cambridge, England : 2003)
• Year of publication: 2025
• Journal volume: 54
• Journal issue: 16
• Pages of publication: 6674 - 6683
• a: 14.8827 ± 0.0004 Å
• b: 21.1323 ± 0.0005 Å
• c: 16.3445 ± 0.0004 Å
• α: 90°
• β: 113.719 ± 0.003°
• γ: 90°
• Cell volume: 4706.2 ± 0.2 ų
• Number of distinct elements: 6
• Space group number: 14
• Hermann-Mauguin space group symbol: P 1 21/n 1
• Hall space group symbol: -P 2yn
• Residual factor for all reflections: 0.063
• Has coordinates: Yes
• Has disorder: No
• Has Fobs: No