Crystallography Open Database

Information card for entry 8000541

Preview

Coordinates	8000541.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C36 H28 Cu4 I4 N8 O2
Calculated formula	C36 H28 Cu4 I4 N8 O2
Title of publication	Negative/Zero Thermal Quenching of Luminescence <i>via</i> Electronic Structural Transition in Copper-Iodide Cluster-Based Coordination Networks.
Authors of publication	Li, Miao; Cheng, Zhiqiang; Wang, Xiaoling; Yu, Zongsu; Zhou, Mingren; Miao, Huixian; Zhaxi, Wenjiang; Huang, Wei; Ma, Xiao; Chen, Qun; Jiang, Shenlong; Zhang, Qun; Wu, Dayu
Journal of publication	The journal of physical chemistry letters
Year of publication	2021
Journal volume	12
Journal issue	34
Pages of publication	8237 - 8245
a	10.3022 ± 0.0002 Å
b	13.1267 ± 0.0002 Å
c	15.9106 ± 0.0002 Å
α	91.787 ± 0.001°
β	101.542 ± 0.001°
γ	103.293 ± 0.002°
Cell volume	2044.93 ± 0.06 Å³
Cell temperature	270 ± 2 K
Ambient diffraction temperature	270 ± 2 K
Number of distinct elements	6
Space group number	2
Hermann-Mauguin space group symbol	P -1
Hall space group symbol	-P 1
Residual factor for all reflections	0.0409
Residual factor for significantly intense reflections	0.034
Weighted residual factors for significantly intense reflections	0.0845
Weighted residual factors for all reflections included in the refinement	0.0918
Goodness-of-fit parameter for all reflections included in the refinement	1.116
Diffraction radiation wavelength	1.54178 Å
Diffraction radiation type	CuKα
Has coordinates	Yes
Has disorder	No
Has F_obs	No

Version history

Revision	Date	Message	Files
268472 (current)	2021-09-04	cif/ Adding structures of 8000541 via cif-deposit CGI script.	8000541.cif