Crystallography Open Database

Information card for entry 8000538

Preview

Coordinates	8000538.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C8 H6 Cu I N3 O0.5
Calculated formula	C8 H6 Cu I N3 O0.5
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	30.414 ± 0.0008 Å
b	4.196 ± 0.0001 Å
c	14.4536 ± 0.0003 Å
α	90°
β	95.248 ± 0.002°
γ	90°
Cell volume	1836.8 ± 0.08 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	6
Space group number	15
Hermann-Mauguin space group symbol	C 1 2/c 1
Hall space group symbol	-C 2yc
Residual factor for all reflections	0.0208
Residual factor for significantly intense reflections	0.02
Weighted residual factors for significantly intense reflections	0.0535
Weighted residual factors for all reflections included in the refinement	0.0539
Goodness-of-fit parameter for all reflections included in the refinement	1.029
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
268469 (current)	2021-09-04	cif/ Adding structures of 8000538 via cif-deposit CGI script.	8000538.cif