Crystallography Open Database

Information card for entry 1574184

Preview

Coordinates	1574184.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C49 H69 Hf N3 O7
Calculated formula	C43 H53 Hf N3 O6
SMILES	[Hf]12345(Oc6c(cc(cc6C[N]3(Cc3c(O2)c(C(C)(C)C)cc(c3)C(C)(C)C)Cc2[n]5cccc2)C(C)(C)C)C(C)(C)C)OC(=O)c2[n]4c(C(=O)O1)ccc2
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	10.4131 ± 0.001 Å
b	14.6873 ± 0.0014 Å
c	16.6466 ± 0.0016 Å
α	114.844 ± 0.003°
β	102.121 ± 0.003°
γ	98.221 ± 0.003°
Cell volume	2180.8 ± 0.4 Å³
Cell temperature	100 K
Ambient diffraction temperature	100 K
Number of distinct elements	5
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.038
Residual factor for significantly intense reflections	0.0369
Weighted residual factors for significantly intense reflections	0.0958
Weighted residual factors for all reflections included in the refinement	0.0965
Goodness-of-fit parameter for all reflections included in the refinement	1.04
Diffraction radiation wavelength	1.34139 Å
Diffraction radiation type	GaKα
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.	1574184.cif
298507	2025-03-19	cif/ Adding structures of 1574184, 1574185 via cif-deposit CGI script.	1574184.cif