Crystallography Open Database

Information card for entry 7711452

Preview

Coordinates	7711452.cif
Original paper (by DOI)	HTML

Structure parameters

Chemical name	Cd-Sm nanocluster
Formula	C550 H641 Br40 Cd44 Cl31 N40 O190 Sm12
Calculated formula	C550 H641 Br40 Cd44 Cl31 N40 O190 Sm12
Title of publication	Rapid and reliable triple-emissive detection of 2,6-dichloro-4-nitroaniline as a pesticide based on a high-nuclear Cd(II)-Sm(III) nanocluster
Authors of publication	Leng, Xilong; Yang, Xiaoping; Ma, Yanan; Wang, Chengri; Li, Hao; Zhang, Zhen; Yang, Keqin; Schipper, Desmond
Journal of publication	Dalton Transactions
Year of publication	2022
a	25.5669 ± 0.0014 Å
b	42.314 ± 0.002 Å
c	44.056 ± 0.003 Å
α	66.807 ± 0.001°
β	86.394 ± 0.001°
γ	77.298 ± 0.001°
Cell volume	42723 ± 4 Å³
Cell temperature	190 ± 1 K
Ambient diffraction temperature	190 ± 1 K
Number of distinct elements	8
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.2228
Residual factor for significantly intense reflections	0.0952
Weighted residual factors for significantly intense reflections	0.1742
Weighted residual factors for all reflections included in the refinement	0.2455
Goodness-of-fit parameter for all reflections included in the refinement	0.831
Diffraction radiation wavelength	0.710747 Å
Diffraction radiation type	MoKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
278501 (current)	2022-10-09	cif/ Adding structures of 7711452 via cif-deposit CGI script.	7711452.cif