Crystallography Open Database

Information card for entry 8000433

Preview

Coordinates	8000433.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C788 H832 Cu44 F48 P24 S36 Sb8
Calculated formula	C788 H832 Cu44 F48 P24 S36 Sb8
Title of publication	Atomically Precise Copper Cluster with Intensely Near-Infrared Luminescence and Its Mechanism.
Authors of publication	Li, Hao; Zhai, Hongsheng; Zhou, Chuanjun; Song, Yongbo; Ke, Feng; Xu, Wen Wu; Zhu, Manzhou
Journal of publication	The journal of physical chemistry letters
Year of publication	2020
Journal volume	11
Journal issue	12
Pages of publication	4891 - 4896
a	26.564 ± 0.002 Å
b	26.692 ± 0.002 Å
c	33.045 ± 0.003 Å
α	90°
β	106.652 ± 0.005°
γ	90°
Cell volume	22448 ± 3 Å³
Cell temperature	170 ± 2 K
Ambient diffraction temperature	170.03 K
Number of distinct elements	7
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	0.2808
Residual factor for significantly intense reflections	0.1973
Weighted residual factors for significantly intense reflections	0.4676
Weighted residual factors for all reflections included in the refinement	0.5036
Goodness-of-fit parameter for all reflections included in the refinement	1.342
Diffraction radiation wavelength	1.3418 Å
Diffraction radiation type	GaKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
253751 (current)	2020-07-04	cif/ Updating files of 8000433 Original log message: Adding full bibliography for 8000433.cif.	8000433.cif
253047	2020-06-10	cif/ Adding structures of 8000433 via cif-deposit CGI script.	8000433.cif