Crystallography Open Database

Information card for entry 7703948

Preview

Coordinates	7703948.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C44 H50 Cu6 I6 N4 P2
Calculated formula	C44 H50 Cu6 I6 N4 P2
Title of publication	From a blue to white to yellow emitter: a hexanuclear copper iodide nanocluster.
Authors of publication	Xu, Ke; Chen, Bu-Lin; Zhang, Rui; Liu, Li; Zhong, Xin-Xin; Wang, Lei; Li, Feng-Yan; Li, Guang-Hua; Alamry, Khalid A.; Li, Fa-Bao; Wong, Wai-Yeung; Qin, Hai-Mei
Journal of publication	Dalton transactions (Cambridge, England : 2003)
Year of publication	2020
Journal volume	49
Journal issue	18
Pages of publication	5859 - 5868
a	12.7527 ± 0.004 Å
b	13.5827 ± 0.0038 Å
c	15.2564 ± 0.0041 Å
α	90°
β	93.4404 ± 0.0139°
γ	90°
Cell volume	2637.9 ± 1.3 Å³
Cell temperature	293 ± 2 K
Ambient diffraction temperature	293 ± 2 K
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	0.0598
Residual factor for significantly intense reflections	0.0536
Weighted residual factors for significantly intense reflections	0.1263
Weighted residual factors for all reflections included in the refinement	0.1304
Goodness-of-fit parameter for all reflections included in the refinement	1.082
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
252814 (current)	2020-06-05	cif/ Updating files of 7703948 Original log message: Adding full bibliography for 7703948.cif.	7703948.cif
250034	2020-04-04	cif/ Adding structures of 7703948 via cif-deposit CGI script.	7703948.cif