Crystallography Open Database

Information card for entry 7706028

Preview

Coordinates	7706028.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C64 H76 Cl3 N16 O24 Th
Calculated formula	C64 H76 Cl3 N16 O24 Th
Title of publication	Complexes of Th(IV) with neutral O-N-N-O hybrid ligands: a thermodynamic and crystallographic study.
Authors of publication	Yang, Yanqiu; Lv, Lina; Liu, Yunnu; Chen, Baihua; Liu, Jun; Li, Xingliang; Luo, Shunzhong
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2021
Journal volume	50
Journal issue	2
Pages of publication	705 - 714
a	16.5157 ± 0.0016 Å
b	14.385 ± 0.0014 Å
c	17.7543 ± 0.0014 Å
α	90°
β	97.528 ± 0.01°
γ	90°
Cell volume	4181.7 ± 0.7 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293.15 K
Number of distinct elements	6
Space group number	13
Hermann-Mauguin space group symbol	P 1 2/n 1
Hall space group symbol	-P 2yac
Residual factor for all reflections	0.1249
Residual factor for significantly intense reflections	0.0777
Weighted residual factors for significantly intense reflections	0.2046
Weighted residual factors for all reflections included in the refinement	0.2211
Goodness-of-fit parameter for all reflections included in the refinement	1.019
Diffraction radiation probe	x-ray
Diffraction radiation wavelength	0.71073 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
261677 (current)	2021-02-05	cif/ Updating files of 7706028, 7706029 Original log message: Adding full bibliography for 7706028--7706029.cif.	7706028.cif
259804	2020-12-11	cif/ Adding structures of 7706028, 7706029 via cif-deposit CGI script.	7706028.cif