Crystallography Open Database

Information card for entry 7127149

Preview

Coordinates	7127149.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C5 H6 Cu2 I2 N2
Calculated formula	C5 H6 Cu2 I2 N2
Title of publication	Negative thermal quenching of photoluminescence in a copper-organic framework emitter.
Authors of publication	Wu, Ting; Jiang, Shenlong; Samanta, Pabitra Narayan; Xie, Yangbin; Li, Jipeng; Wang, Xiaoling; Devashis, Majumdar; Gu, Xiangwei; Wang, Yusong; Huang, Wei; Zhang, Qun; Leszczynski, Jerzy; Wu, Dayu
Journal of publication	Chemical communications (Cambridge, England)
Year of publication	2020
Journal volume	56
Journal issue	80
Pages of publication	12057 - 12060
a	11.538 ± 0.0006 Å
b	4.2653 ± 0.0002 Å
c	19.7023 ± 0.0013 Å
α	90°
β	90.478 ± 0.005°
γ	90°
Cell volume	969.58 ± 0.09 Å³
Cell temperature	298 ± 2 K
Ambient diffraction temperature	298 ± 2 K
Number of distinct elements	5
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	0.1673
Residual factor for significantly intense reflections	0.1505
Weighted residual factors for significantly intense reflections	0.3532
Weighted residual factors for all reflections included in the refinement	0.39
Goodness-of-fit parameter for all reflections included in the refinement	1.578
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
260660 (current)	2021-01-07	cif/ Updating files of 7127147, 7127148, 7127149, 7127150 Original log message: Adding full bibliography for 7127147--7127150.cif.	7127149.cif
255785	2020-09-02	cif/ Adding structures of 7127147, 7127148, 7127149, 7127150 via cif-deposit CGI script.	7127149.cif