Crystallography Open Database

Information card for entry 8000539

Preview

Coordinates	8000539.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	10.337 ± 0.0006 Å
b	13.1443 ± 0.0006 Å
c	15.9625 ± 0.0003 Å
α	91.989 ± 0.003°
β	101.507 ± 0.004°
γ	102.945 ± 0.004°
Cell volume	2064.09 ± 0.16 Å³
Cell temperature	350 ± 2 K
Ambient diffraction temperature	350 ± 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	0.1222
Residual factor for significantly intense reflections	0.0808
Weighted residual factors for significantly intense reflections	0.1997
Weighted residual factors for all reflections included in the refinement	0.2633
Goodness-of-fit parameter for all reflections included in the refinement	1.156
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
268470 (current)	2021-09-04	cif/ Adding structures of 8000539 via cif-deposit CGI script.	8000539.cif