Crystallography Open Database

Information card for entry 7249699

Preview

Coordinates	7249699.cif
Original paper (by DOI)	HTML

Structure parameters

Formula	C39 Cu I N2 P2
Calculated formula	C39 Cu I N2 P2
Title of publication	Achieving cuprous iodide hybrid materials with long luminescence lifetimes and high internal quantum yields via aggregation-induced emission
Authors of publication	Xue, Zhen-Dong; Zhang, Yi; Zhu, Hao-Yu; Shao, Juan-Juan; Gao, Qiang; Wang, Fang-Ming
Journal of publication	CrystEngComm
Year of publication	2025
Journal volume	27
Journal issue	5
Pages of publication	661 - 667
a	13.1546 ± 0.0003 Å
b	12.9738 ± 0.0003 Å
c	21.2555 ± 0.0005 Å
α	90°
β	101.043 ± 0.002°
γ	90°
Cell volume	3560.4 ± 0.14 Å³
Cell temperature	296 ± 2 K
Ambient diffraction temperature	296.15 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	0.06
Residual factor for significantly intense reflections	0.0421
Weighted residual factors for significantly intense reflections	0.0995
Weighted residual factors for all reflections included in the refinement	0.1068
Goodness-of-fit parameter for all reflections included in the refinement	1.2909
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
298186 (current)	2025-03-04	cif/ Updating files of 7249699, 7249700, 7249701, 7249702 Original log message: Adding full bibliography for 7249699--7249702.cif.	7249699.cif
296897	2024-12-18	cif/ Adding structures of 7249699, 7249700, 7249701, 7249702 via cif-deposit CGI script.	7249699.cif