Crystallography Open Database

Information card for entry 1574185

Preview

Coordinates	1574185.cif
Original paper (by DOI)	HTML

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<sup>IV</sup>-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 Å³
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 F_obs	No

Version history

Revision	Date	Message	Files
300834 (current)	2025-07-06	cif/ Updating files of 1574184, 1574185 Original log message: Adding full bibliography for 1574184--1574185.cif.	1574185.cif
298507	2025-03-19	cif/ Adding structures of 1574184, 1574185 via cif-deposit CGI script.	1574185.cif